1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid

C13H9N3O2 — CID 12643401

IUPAC1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2cnn(-c3ccccc3)c2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-6-12-11(14-7-9)8-15-16(12)10-4-2-1-3-5-10/h1-8H,(H,17,18)
InChIKeyFHXIGNMYZJWPNS-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.12
Rot. Bonds2

About 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid

1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 12643401) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid
PubChem CID12643401
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2cnn(-c3ccccc3)c2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)9-6-12-11(14-7-9)8-15-16(12)10-4-2-1-3-5-10/h1-8H,(H,17,18)
InChIKeyFHXIGNMYZJWPNS-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylic acid
CID 136699631
1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778863
5-amino-6-indazol-1-ylpyridine-3-carboxylic acid
CID 81439613
6-indazol-1-yl-5-methylpyridine-3-carboxylic acid
CID 80631041
4-chloro-1-phenylpyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 122458585
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
3-(5-iodoindazol-1-yl)benzoic acid
CID 57432097
4-(4-oxoindeno[2,1-d]pyrazol-1-yl)benzoic acid
CID 133083962

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid (CID 12643401) is 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2cnn(-c3ccccc3)c2c1.
What is the InChIKey of 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is FHXIGNMYZJWPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)9-6-12-11(14-7-9)8-15-16(12)10-4-2-1-3-5-10/h1-8H,(H,17,18).
What are the key properties of 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid?
1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 12643401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).