2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide

C14H12ClFN2O — CID 113378285

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)cc(Cl)n1
InChIInChI=1S/C14H12ClFN2O/c1-9-6-11(7-13(15)18-9)14(19)17-8-10-4-2-3-5-12(10)16/h2-7H,8H2,1H3,(H,17,19)
InChIKeyWJNWBZMLYCWNPD-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.11
Rot. Bonds3

About 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide

2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide (PubChem CID 113378285) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
PubChem CID113378285
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2F)cc(Cl)n1
InChIInChI=1S/C14H12ClFN2O/c1-9-6-11(7-13(15)18-9)14(19)17-8-10-4-2-3-5-12(10)16/h2-7H,8H2,1H3,(H,17,19)
InChIKeyWJNWBZMLYCWNPD-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.11
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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Related Compounds

2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
3-amino-5-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 60862693
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328541
2-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328586
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
2-chloro-N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 62237463
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide (CID 113378285) is 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2F)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is WJNWBZMLYCWNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-9-6-11(7-13(15)18-9)14(19)17-8-10-4-2-3-5-12(10)16/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide?
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113378285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).