3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine

C11H10BrN3 — CID 104778478

IUPAC3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
SMILESCN(c1cccnc1)c1ccncc1Br
InChIInChI=1S/C11H10BrN3/c1-15(9-3-2-5-13-7-9)11-4-6-14-8-10(11)12/h2-8H,1H3
InChIKeyFXKJXYCVLHBRKM-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.01
Rot. Bonds2

About 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine

3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine (PubChem CID 104778478) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
PubChem CID104778478
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
SMILESCN(c1cccnc1)c1ccncc1Br
InChIInChI=1S/C11H10BrN3/c1-15(9-3-2-5-13-7-9)11-4-6-14-8-10(11)12/h2-8H,1H3
InChIKeyFXKJXYCVLHBRKM-UHFFFAOYSA-N
XLogP3.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
N-methyl-N-(2-nitrophenyl)pyridin-3-amine
CID 121011639
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120
3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine
CID 104778581
4-bromo-N,N-dimethylpyridin-3-amine
CID 23436877
2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639487
2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid
CID 138490291
3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]but-2-enamide
CID 123421732
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine?
The IUPAC name of 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine (CID 104778478) is 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine?
The canonical SMILES for 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine is CN(c1cccnc1)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine?
The InChIKey is FXKJXYCVLHBRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-15(9-3-2-5-13-7-9)11-4-6-14-8-10(11)12/h2-8H,1H3.
What are the key properties of 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine?
3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine has a molecular weight of 264.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine is sourced from PubChem (CID 104778478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).