5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile

C13H9BrFN3 — CID 79839971

IUPAC5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc(Br)ccc2F)cn1
InChIInChI=1S/C13H9BrFN3/c14-10-1-4-13(15)9(5-10)7-17-12-3-2-11(6-16)18-8-12/h1-5,8,17H,7H2
InChIKeySLUXWSXUKFDEAK-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.47
Rot. Bonds3

About 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile

5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile (PubChem CID 79839971) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
PubChem CID79839971
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc(Br)ccc2F)cn1
InChIInChI=1S/C13H9BrFN3/c14-10-1-4-13(15)9(5-10)7-17-12-3-2-11(6-16)18-8-12/h1-5,8,17H,7H2
InChIKeySLUXWSXUKFDEAK-UHFFFAOYSA-N
XLogP3.47
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile 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

5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
5-[(2-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839122
5-[(3-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 154840361
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43722164
2-amino-5-[(5-bromo-2-fluorophenyl)methylamino]benzonitrile
CID 115499190
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674318
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853
2-[3-[(5-bromo-2-fluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721105
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
[6-[(5-bromo-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyanamide
CID 115264641
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 112706584

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile (CID 79839971) is 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2cc(Br)ccc2F)cn1.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is SLUXWSXUKFDEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c14-10-1-4-13(15)9(5-10)7-17-12-3-2-11(6-16)18-8-12/h1-5,8,17H,7H2.
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile?
5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 306.14 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).