N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine

C12H10BrFN2 — CID 24774462

IUPACN-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine
SMILESCN(c1ccncc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2/c1-16(9-4-6-15-7-5-9)10-2-3-11(13)12(14)8-10/h2-8H,1H3
InChIKeyQLMPNMHPKWQAHE-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.75
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine

N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine (PubChem CID 24774462) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine
PubChem CID24774462
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC NameN-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine
SMILESCN(c1ccncc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2/c1-16(9-4-6-15-7-5-9)10-2-3-11(13)12(14)8-10/h2-8H,1H3
InChIKeyQLMPNMHPKWQAHE-UHFFFAOYSA-N
XLogP3.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine (CID 24774462) is N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine is CN(c1ccncc1)c1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine?
The InChIKey is QLMPNMHPKWQAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c1-16(9-4-6-15-7-5-9)10-2-3-11(13)12(14)8-10/h2-8H,1H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine?
N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine has a molecular weight of 281.13 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 24774462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).