2-chloro-4,6-dimethylpyridine-3-carboxamide

C8H9ClN2O — CID 597857

IUPAC2-chloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,10,12)
InChIKeyNNBAGQPBTCYTKF-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.45
Rot. Bonds1

About 2-chloro-4,6-dimethylpyridine-3-carboxamide

2-chloro-4,6-dimethylpyridine-3-carboxamide (PubChem CID 597857) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-4,6-dimethylpyridine-3-carboxamide
PubChem CID597857
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,10,12)
InChIKeyNNBAGQPBTCYTKF-UHFFFAOYSA-N
XLogP1.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-4,6-dimethylpyridine-3-carboxamide (CID 597857) is 2-chloro-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(Cl)n1.
What is the InChIKey of 2-chloro-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is NNBAGQPBTCYTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,10,12).
What are the key properties of 2-chloro-4,6-dimethylpyridine-3-carboxamide?
2-chloro-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 184.63 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 597857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).