| Drug Name |
US9714230, 46
|
| Synonyms |
SCHEMBL15778753; MITOFELVTHNBGA-UHFFFAOYSA-N; BDBM263981; US9714230, 46; 2-(5-(4-bromophenyl)-1H-pyrazol- 1-yl)isonicotinic acid; 2-[5-(4-bromophenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
344.16 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C15H10BrN3O2
- IUPAC Name
2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid - Canonical SMILES
-
C1=CC(=CC=C1C2=CC=NN2C3=NC=CC(=C3)C(=O)O)Br
- InChI
-
InChI=1S/C15H10BrN3O2/c16-12-3-1-10(2-4-12)13-6-8-18-19(13)14-9-11(15(20)21)5-7-17-14/h1-9H,(H,20,21)
- InChIKey
-
MITOFELVTHNBGA-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 86725517
- TTD ID
- D0F3TL
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