N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide

C14H9BrFN3O — CID 115116512

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C14H9BrFN3O/c15-10-4-5-12(16)9(6-10)8-18-14(20)13-3-1-2-11(7-17)19-13/h1-6H,8H2,(H,18,20)
InChIKeySUXPPBGYBGIWOS-UHFFFAOYSA-N
MW334.15 g/mol
LogP2.78
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide (PubChem CID 115116512) has the molecular formula C14H9BrFN3O and a molecular weight of 334.15 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
PubChem CID115116512
Molecular FormulaC14H9BrFN3O
Molecular Weight334.15 g/mol
Exact Mass332.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide
SMILESN#Cc1cccc(C(=O)NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C14H9BrFN3O/c15-10-4-5-12(16)9(6-10)8-18-14(20)13-3-1-2-11(7-17)19-13/h1-6H,8H2,(H,18,20)
InChIKeySUXPPBGYBGIWOS-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]-6-fluoropyridine-2-carboxamide
CID 115497663
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 103875325
6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-[(5-bromo-2-fluorophenyl)methyl]-4-cyanopyridine-3-carboxamide
CID 115115700
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide
CID 115116565
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide (CID 115116512) is N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide is N#Cc1cccc(C(=O)NCc2cc(Br)ccc2F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide?
The InChIKey is SUXPPBGYBGIWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O/c15-10-4-5-12(16)9(6-10)8-18-14(20)13-3-1-2-11(7-17)19-13/h1-6H,8H2,(H,18,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-6-cyanopyridine-2-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]-6-cyanopyridine-2-carboxamide is sourced from PubChem (CID 115116512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).