(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine

C12H9BrF2N2 — CID 105038410

IUPAC(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1cccc(F)c1Br
InChIInChI=1S/C12H9BrF2N2/c13-11-8(2-1-3-9(11)14)12(16)7-4-5-17-6-10(7)15/h1-6,12H,16H2
InChIKeyHGVNBCHPXSXGSX-UHFFFAOYSA-N
MW299.12 g/mol
LogP3.17
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine

(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 105038410) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID105038410
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC Name(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1cccc(F)c1Br
InChIInChI=1S/C12H9BrF2N2/c13-11-8(2-1-3-9(11)14)12(16)7-4-5-17-6-10(7)15/h1-6,12H,16H2
InChIKeyHGVNBCHPXSXGSX-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine 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

(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
CID 115853191
(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
CID 114030256
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853945
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
[(2-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335384
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
CID 105038149

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine (CID 105038410) is (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine is NC(c1ccncc1F)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is HGVNBCHPXSXGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c13-11-8(2-1-3-9(11)14)12(16)7-4-5-17-6-10(7)15/h1-6,12H,16H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 299.12 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 105038410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).