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

C13H12BrFN2 — CID 113398464

IUPAC(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ncccc1Br
InChIInChI=1S/C13H12BrFN2/c1-8-7-9(15)4-5-10(8)12(16)13-11(14)3-2-6-17-13/h2-7,12H,16H2,1H3
InChIKeyGDKRLZKAVCOSRJ-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.34
Rot. Bonds2

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

(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 113398464) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID113398464
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ncccc1Br
InChIInChI=1S/C13H12BrFN2/c1-8-7-9(15)4-5-10(8)12(16)13-11(14)3-2-6-17-13/h2-7,12H,16H2,1H3
InChIKeyGDKRLZKAVCOSRJ-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105268031
1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348316
[(4-fluoro-2-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257778
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(4-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105142831
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine (CID 113398464) is (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1ncccc1Br.
What is the InChIKey of (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is GDKRLZKAVCOSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-8-7-9(15)4-5-10(8)12(16)13-11(14)3-2-6-17-13/h2-7,12H,16H2,1H3.
What are the key properties of (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine?
(3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 295.16 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 113398464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).