N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide

C14H9BrFN3O — CID 115115700

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide
SMILESN#Cc1ccncc1C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H9BrFN3O/c15-11-1-2-13(16)10(5-11)7-19-14(20)12-8-18-4-3-9(12)6-17/h1-5,8H,7H2,(H,19,20)
InChIKeySHOQIZMBDZVONA-UHFFFAOYSA-N
MW334.15 g/mol
LogP2.78
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide (PubChem CID 115115700) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide
PubChem CID115115700
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide
SMILESN#Cc1ccncc1C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H9BrFN3O/c15-11-1-2-13(16)10(5-11)7-19-14(20)12-8-18-4-3-9(12)6-17/h1-5,8H,7H2,(H,19,20)
InChIKeySHOQIZMBDZVONA-UHFFFAOYSA-N
XLogP2.78
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
CID 115116512
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
N-[(5-bromo-2-fluorophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283617
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide (CID 115115700) is N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide is N#Cc1ccncc1C(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide?
The InChIKey is SHOQIZMBDZVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-11-1-2-13(16)10(5-11)7-19-14(20)12-8-18-4-3-9(12)6-17/h1-5,8H,7H2,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide has a molecular weight of 334.15 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide is sourced from PubChem (CID 115115700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).