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

C12H10BrFN2 — CID 114906176

IUPAC(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2
InChIKeyRZOPTIHHECHMBA-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.03
Rot. Bonds2

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

(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine (PubChem CID 114906176) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
PubChem CID114906176
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC Name(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccc(Br)cc1F
InChIInChI=1S/C12H10BrFN2/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2
InChIKeyRZOPTIHHECHMBA-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-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799700
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 82964366
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755
[(5-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]hydrazine
CID 105196222
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322483
2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
CID 55096037
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine (CID 114906176) is (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine is NC(c1cccnc1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine?
The InChIKey is RZOPTIHHECHMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c13-9-3-4-10(11(14)6-9)12(15)8-2-1-5-16-7-8/h1-7,12H,15H2.
What are the key properties of (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine?
(4-bromo-2-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 (4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 114906176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).