N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine

C12H9BrF2N2 — CID 113228051

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
SMILESFc1cccc(NCc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H9BrF2N2/c13-9-6-8(4-5-10(9)14)7-16-12-3-1-2-11(15)17-12/h1-6H,7H2,(H,16,17)
InChIKeyYJTAHWXGNRLYLV-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.73
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine

N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine (PubChem CID 113228051) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
PubChem CID113228051
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
SMILESFc1cccc(NCc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H9BrF2N2/c13-9-6-8(4-5-10(9)14)7-16-12-3-1-2-11(15)17-12/h1-6H,7H2,(H,16,17)
InChIKeyYJTAHWXGNRLYLV-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
6-fluoro-N-(1H-pyrrol-3-ylmethyl)pyridin-2-amine
CID 116519992
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-chloroaniline
CID 103478325
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
6-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80647965
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60579306
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
2-[3-[[(6-fluoro-2-pyridinyl)amino]methyl]phenoxy]acetonitrile
CID 115625315
N-[(3-bromo-4-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688239
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79091008

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine (CID 113228051) is N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine is Fc1cccc(NCc2ccc(F)c(Br)c2)n1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine?
The InChIKey is YJTAHWXGNRLYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c13-9-6-8(4-5-10(9)14)7-16-12-3-1-2-11(15)17-12/h1-6H,7H2,(H,16,17).
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine has a molecular weight of 299.12 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 113228051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).