2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid

C10H8ClN3O2 — CID 66853849

IUPAC2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN3O2/c1-6-5-8(10(15)16)14(13-6)9-7(11)3-2-4-12-9/h2-5H,1H3,(H,15,16)
InChIKeyDMLCJMLYSZYPGV-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.93
Rot. Bonds2

About 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid

2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 66853849) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID66853849
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN3O2/c1-6-5-8(10(15)16)14(13-6)9-7(11)3-2-4-12-9/h2-5H,1H3,(H,15,16)
InChIKeyDMLCJMLYSZYPGV-UHFFFAOYSA-N
XLogP1.93
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chloropyridin-2-yl)-3-{[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl}-1H-pyrazole-5-carboxylic acid
CID 67289880
3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 11587535
3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid
CID 1860644
Ethyl 3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylate
CID 11587974
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
CID 84777128
2-(5-butyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90205218
2-(3-butyl-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90211018
Methyl 3-(chloromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 49850068
3-Chloro-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 21107332
1-(3-chloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 50990496
methyl 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carboxylate
CID 2028601
Methyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate
CID 53235501

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid (CID 66853849) is 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2ncccc2Cl)n1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is DMLCJMLYSZYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-6-5-8(10(15)16)14(13-6)9-7(11)3-2-4-12-9/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?
2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 237.65 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 66853849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).