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

C9H7ClN4O2 — CID 165460315

IUPAC2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)cc(Cl)n2)nn1
InChIInChI=1S/C9H7ClN4O2/c1-14-4-7(12-13-14)6-2-5(9(15)16)3-8(10)11-6/h2-4H,1H3,(H,15,16)
InChIKeyYLTCHMWEYZXMMI-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.23
Rot. Bonds2

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

2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 165460315) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid
PubChem CID165460315
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)cc(Cl)n2)nn1
InChIInChI=1S/C9H7ClN4O2/c1-14-4-7(12-13-14)6-2-5(9(15)16)3-8(10)11-6/h2-4H,1H3,(H,15,16)
InChIKeyYLTCHMWEYZXMMI-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid (CID 165460315) is 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid is Cn1cc(-c2cc(C(=O)O)cc(Cl)n2)nn1.
What is the InChIKey of 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is YLTCHMWEYZXMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c1-14-4-7(12-13-14)6-2-5(9(15)16)3-8(10)11-6/h2-4H,1H3,(H,15,16).
What are the key properties of 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid?
2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methyltriazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 165460315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).