6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid

C44H34ClN17O10 — CID 158352317

IUPAC6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid
SMILESCc1cnn(-c2ccc(C(=O)O)cn2)c1.O=C(O)c1ccc(-n2cc(Cl)cn2)nc1.O=C(O)c1ccc(-n2cccn2)nc1.O=C(O)c1ccc(-n2cnnc2)nc1.O=C(O)c1ccc(-n2nccn2)nc1
InChIInChI=1S/C10H9N3O2.C9H6ClN3O2.C9H7N3O2.2C8H6N4O2/c1-7-4-12-13(6-7)9-3-2-8(5-11-9)10(14)15;10-7-4-12-13(5-7)8-2-1-6(3-11-8)9(14)15;13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12;13-8(14)6-1-2-7(9-3-6)12-4-10-11-5-12;13-8(14)6-1-2-7(9-5-6)12-10-3-4-11-12/h2-6H,1H3,(H,14,15);1-5H,(H,14,15);1-6H,(H,13,14);2*1-5H,(H,13,14)
InChIKeyGSLUYQQOIROBDR-UHFFFAOYSA-N
MW996.32 g/mol
LogP4.58
Rot. Bonds10

About 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid

6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid (PubChem CID 158352317) has the molecular formula C44H34ClN17O10 and a molecular weight of 996.32 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid
PubChem CID158352317
Molecular FormulaC44H34ClN17O10
Molecular Weight996.32 g/mol
Exact Mass995.24
IUPAC Name6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid
SMILESCc1cnn(-c2ccc(C(=O)O)cn2)c1.O=C(O)c1ccc(-n2cc(Cl)cn2)nc1.O=C(O)c1ccc(-n2cccn2)nc1.O=C(O)c1ccc(-n2cnnc2)nc1.O=C(O)c1ccc(-n2nccn2)nc1
InChIInChI=1S/C10H9N3O2.C9H6ClN3O2.C9H7N3O2.2C8H6N4O2/c1-7-4-12-13(6-7)9-3-2-8(5-11-9)10(14)15;10-7-4-12-13(5-7)8-2-1-6(3-11-8)9(14)15;13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12;13-8(14)6-1-2-7(9-3-6)12-4-10-11-5-12;13-8(14)6-1-2-7(9-5-6)12-10-3-4-11-12/h2-6H,1H3,(H,14,15);1-5H,(H,14,15);1-6H,(H,13,14);2*1-5H,(H,13,14)
InChIKeyGSLUYQQOIROBDR-UHFFFAOYSA-N
XLogP4.58
TPSA365.83 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.32
LogP ≤ 54.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 161225732
2-[(2S)-2-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3R)-3-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3S)-3-ethylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid;2-[(3S)-3-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 157989749
acetyl isothiocyanate;2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;2-N,2-N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine;hydroxylamine;3-methylpyridin-2-amine;8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N,N,8-trimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158073715
6-(3-Azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 158405468

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid (CID 158352317) is 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid is Cc1cnn(-c2ccc(C(=O)O)cn2)c1.O=C(O)c1ccc(-n2cc(Cl)cn2)nc1.O=C(O)c1ccc(-n2cccn2)nc1.O=C(O)c1ccc(-n2cnnc2)nc1.O=C(O)c1ccc(-n2nccn2)nc1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is GSLUYQQOIROBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2.C9H6ClN3O2.C9H7N3O2.2C8H6N4O2/c1-7-4-12-13(6-7)9-3-2-8(5-11-9)10(14)15;10-7-4-12-13(5-7)8-2-1-6(3-11-8)9(14)15;13-9(14)7-2-3-8(10-6-7)12-5-1-4-11-12;13-8(14)6-1-2-7(9-3-6)12-4-10-11-5-12;13-8(14)6-1-2-7(9-5-6)12-10-3-4-11-12/h2-6H,1H3,(H,14,15);1-5H,(H,14,15);1-6H,(H,13,14);2*1-5H,(H,13,14).
What are the key properties of 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid?
6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 996.32 g/mol, XLogP of 4.58, 10 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid;6-(4-methylpyrazol-1-yl)pyridine-3-carboxylic acid;6-pyrazol-1-ylpyridine-3-carboxylic acid;6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid;6-(triazol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 158352317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).