2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

C13H10BrFN2O — CID 103752537

IUPAC2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2O/c1-17(11-4-2-10(15)3-5-11)13(18)9-6-7-16-12(14)8-9/h2-8H,1H3
InChIKeySXOUFTLYQPVQGR-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.26
Rot. Bonds2

About 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide

2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (PubChem CID 103752537) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
PubChem CID103752537
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2O/c1-17(11-4-2-10(15)3-5-11)13(18)9-6-7-16-12(14)8-9/h2-8H,1H3
InChIKeySXOUFTLYQPVQGR-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.26
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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Related Compounds

2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61061331
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
2-bromo-N-cyclopropyl-N-methylpyridine-4-carboxamide
CID 103752625
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide (CID 103752537) is 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccnc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is SXOUFTLYQPVQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-17(11-4-2-10(15)3-5-11)13(18)9-6-7-16-12(14)8-9/h2-8H,1H3.
What are the key properties of 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide?
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 309.14 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 103752537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).