6-chloro-4-methoxypyridine-3-carboxamide

C7H7ClN2O2 — CID 56773831

IUPAC6-chloro-4-methoxypyridine-3-carboxamide
SMILESCOc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C7H7ClN2O2/c1-12-5-2-6(8)10-3-4(5)7(9)11/h2-3H,1H3,(H2,9,11)
InChIKeyNUSQHCKRZHXZCI-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.84
Rot. Bonds2

About 6-chloro-4-methoxypyridine-3-carboxamide

6-chloro-4-methoxypyridine-3-carboxamide (PubChem CID 56773831) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 6-chloro-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-methoxypyridine-3-carboxamide
PubChem CID56773831
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name6-chloro-4-methoxypyridine-3-carboxamide
SMILESCOc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C7H7ClN2O2/c1-12-5-2-6(8)10-3-4(5)7(9)11/h2-3H,1H3,(H2,9,11)
InChIKeyNUSQHCKRZHXZCI-UHFFFAOYSA-N
XLogP0.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-4-methoxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxypyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-methoxypyridine-3-carboxamide (CID 56773831) is 6-chloro-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-methoxypyridine-3-carboxamide is COc1cc(Cl)ncc1C(N)=O.
What is the InChIKey of 6-chloro-4-methoxypyridine-3-carboxamide?
The InChIKey is NUSQHCKRZHXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-12-5-2-6(8)10-3-4(5)7(9)11/h2-3H,1H3,(H2,9,11).
What are the key properties of 6-chloro-4-methoxypyridine-3-carboxamide?
6-chloro-4-methoxypyridine-3-carboxamide has a molecular weight of 186.60 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 56773831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).