2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide

C14H12ClFN2O — CID 113378414

IUPAC2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(F)c2)cc(Cl)n1
InChIInChI=1S/C14H12ClFN2O/c1-9-6-10(7-13(15)17-9)14(19)18(2)12-5-3-4-11(16)8-12/h3-8H,1-2H3
InChIKeyLQZAIDZCCUMOMX-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide

2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide (PubChem CID 113378414) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
PubChem CID113378414
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(F)c2)cc(Cl)n1
InChIInChI=1S/C14H12ClFN2O/c1-9-6-10(7-13(15)17-9)14(19)18(2)12-5-3-4-11(16)8-12/h3-8H,1-2H3
InChIKeyLQZAIDZCCUMOMX-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
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-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide (CID 113378414) is 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)N(C)c2cccc(F)c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide?
The InChIKey is LQZAIDZCCUMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-9-6-10(7-13(15)17-9)14(19)18(2)12-5-3-4-11(16)8-12/h3-8H,1-2H3.
What are the key properties of 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide?
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 113378414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).