2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid

C10H8ClN3O2 — CID 62493283

IUPAC2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1ccn(-c2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C10H8ClN3O2/c1-6-2-3-14(13-6)9-5-7(10(15)16)4-8(11)12-9/h2-5H,1H3,(H,15,16)
InChIKeyPIKWDVJDJCHMPZ-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid

2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 62493283) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID62493283
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1ccn(-c2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C10H8ClN3O2/c1-6-2-3-14(13-6)9-5-7(10(15)16)4-8(11)12-9/h2-5H,1H3,(H,15,16)
InChIKeyPIKWDVJDJCHMPZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
2-(4-Chlorophenyl)-7-methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 5308312
3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 11587535
2-[5-(4-bromophenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725517
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
1-(2-Pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 16787723
2-(5-m-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901426
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
CID 84777128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 62493283) is 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid is Cc1ccn(-c2cc(C(=O)O)cc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is PIKWDVJDJCHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-6-2-3-14(13-6)9-5-7(10(15)16)4-8(11)12-9/h2-5H,1H3,(H,15,16).
What are the key properties of 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
2-chloro-6-(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 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 62493283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).