(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine

C13H12BrFN2O — CID 43125149

IUPAC(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1cncc(Br)c1
InChIInChI=1S/C13H12BrFN2O/c1-18-12-3-2-10(15)5-11(12)13(16)8-4-9(14)7-17-6-8/h2-7,13H,16H2,1H3
InChIKeyBWHILADMWUZJRL-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.04
Rot. Bonds3

About (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine

(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 43125149) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID43125149
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1cncc(Br)c1
InChIInChI=1S/C13H12BrFN2O/c1-18-12-3-2-10(15)5-11(12)13(16)8-4-9(14)7-17-6-8/h2-7,13H,16H2,1H3
InChIKeyBWHILADMWUZJRL-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
(5-bromo-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474213
N-[(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492196
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 43125149) is (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine is COc1ccc(F)cc1C(N)c1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is BWHILADMWUZJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-18-12-3-2-10(15)5-11(12)13(16)8-4-9(14)7-17-6-8/h2-7,13H,16H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine?
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 311.15 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 43125149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).