5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine

C12H9Br2FN2 — CID 103702616

IUPAC5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(Br)cc1CNc1cncc(Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-9-1-2-12(15)8(3-9)5-17-11-4-10(14)6-16-7-11/h1-4,6-7,17H,5H2
InChIKeyXWYASJWOFWBAHZ-UHFFFAOYSA-N
MW360.02 g/mol
LogP4.36
Rot. Bonds3

About 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine

5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 103702616) has the molecular formula C12H9Br2FN2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
PubChem CID103702616
Molecular FormulaC12H9Br2FN2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(Br)cc1CNc1cncc(Br)c1
InChIInChI=1S/C12H9Br2FN2/c13-9-1-2-12(15)8(3-9)5-17-11-4-10(14)6-16-7-11/h1-4,6-7,17H,5H2
InChIKeyXWYASJWOFWBAHZ-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.02
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839971
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 112706584
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine
CID 59777379
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43722164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine (CID 103702616) is 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine is Fc1ccc(Br)cc1CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is XWYASJWOFWBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FN2/c13-9-1-2-12(15)8(3-9)5-17-11-4-10(14)6-16-7-11/h1-4,6-7,17H,5H2.
What are the key properties of 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine?
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 360.02 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 103702616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).