(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine

C13H12BrFN2O — CID 114054772

IUPAC(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C13H12BrFN2O/c1-18-10-6-3-7-17-13(10)12(16)8-4-2-5-9(14)11(8)15/h2-7,12H,16H2,1H3
InChIKeyUWPUDYLTCBKLEE-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.04
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine

(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine (PubChem CID 114054772) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
PubChem CID114054772
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1cccc(Br)c1F
InChIInChI=1S/C13H12BrFN2O/c1-18-10-6-3-7-17-13(10)12(16)8-4-2-5-9(14)11(8)15/h2-7,12H,16H2,1H3
InChIKeyUWPUDYLTCBKLEE-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

(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
(3-bromo-2-fluorophenyl)-quinolin-8-ylmethanamine
CID 106648293
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 107950938
(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054024
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
(2-fluoro-3-methoxyphenyl)-pyridin-4-ylmethanamine
CID 82807035
(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054595
(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
CID 114020210
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine (CID 114054772) is (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine is COc1cccnc1C(N)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine?
The InChIKey is UWPUDYLTCBKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-18-10-6-3-7-17-13(10)12(16)8-4-2-5-9(14)11(8)15/h2-7,12H,16H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine?
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)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 (3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 114054772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).