N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide

C13H10BrFN2O — CID 64949510

IUPACN-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Br)c1ccncc1F
InChIInChI=1S/C13H10BrFN2O/c14-11-4-2-1-3-9(11)7-17-13(18)10-5-6-16-8-12(10)15/h1-6,8H,7H2,(H,17,18)
InChIKeyJZPIWUADJIBKMA-UHFFFAOYSA-N
MW309.14 g/mol
LogP2.91
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide

N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 64949510) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
PubChem CID64949510
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Br)c1ccncc1F
InChIInChI=1S/C13H10BrFN2O/c14-11-4-2-1-3-9(11)7-17-13(18)10-5-6-16-8-12(10)15/h1-6,8H,7H2,(H,17,18)
InChIKeyJZPIWUADJIBKMA-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[(2-bromophenyl)methyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388066
2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700594
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-phenacylpyridine-4-carboxamide
CID 64991811
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide (CID 64949510) is N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide is O=C(NCc1ccccc1Br)c1ccncc1F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is JZPIWUADJIBKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-11-4-2-1-3-9(11)7-17-13(18)10-5-6-16-8-12(10)15/h1-6,8H,7H2,(H,17,18).
What are the key properties of N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide?
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 309.14 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).