5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid

C10H8ClN3O2 — CID 114916755

IUPAC5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1ccn(-c2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C10H8ClN3O2/c1-6-2-3-14(13-6)9-4-7(10(15)16)8(11)5-12-9/h2-5H,1H3,(H,15,16)
InChIKeyMDSNKCKWXMPSKN-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.93
Rot. Bonds2

About 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid

5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 114916755) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID114916755
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1ccn(-c2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C10H8ClN3O2/c1-6-2-3-14(13-6)9-4-7(10(15)16)8(11)5-12-9/h2-5H,1H3,(H,15,16)
InChIKeyMDSNKCKWXMPSKN-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

2-(3-methylpyrazol-1-yl)-5-nitropyridine-4-carboxylic acid
CID 114089660
5-chloro-4-(3-methylpyrazol-1-yl)pyrimidine-2-carboxylic acid
CID 156842556
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427
2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 62493283
4-methyl-2-(3-methylpyrazol-1-yl)benzoic acid
CID 62702386
N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927432
3-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 114288842
5-chloro-2-(2-cyanopyrrol-1-yl)pyridine-4-carboxylic acid
CID 114916771
5-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 102889234
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
5-bromo-2-(3-methylpyrazol-1-yl)benzoic acid
CID 114896062
2-chloro-4-(3-methylpyrazol-1-yl)benzoyl chloride
CID 22605446

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 114916755) is 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid is Cc1ccn(-c2cc(C(=O)O)c(Cl)cn2)n1.
What is the InChIKey of 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is MDSNKCKWXMPSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-6-2-3-14(13-6)9-4-7(10(15)16)8(11)5-12-9/h2-5H,1H3,(H,15,16).
What are the key properties of 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-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 5-chloro-2-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114916755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).