(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine

C12H10BrFN2 — CID 115799700

IUPAC(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2
InChIKeyOEEWXNCORKCVLP-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.03
Rot. Bonds2

About (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine

(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine (PubChem CID 115799700) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
PubChem CID115799700
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC Name(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H10BrFN2/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2
InChIKeyOEEWXNCORKCVLP-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
(2-bromo-4-fluorophenyl)-pyrazin-2-ylmethanamine
CID 115860579
1-(2-bromo-4-fluorophenyl)-2-pyridin-3-ylethanamine
CID 105034708
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
CID 115482082
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine (CID 115799700) is (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine is NC(c1cccnc1)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine?
The InChIKey is OEEWXNCORKCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2.
What are the key properties of (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine?
(2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine has a molecular weight of 281.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 115799700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).