3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine

C12H9BrCl2N2 — CID 106876466

IUPAC3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cc(Cl)cc(Cl)c2)c1Br
InChIInChI=1S/C12H9BrCl2N2/c1-7-2-3-16-12(11(7)13)17-10-5-8(14)4-9(15)6-10/h2-6H,1H3,(H,16,17)
InChIKeyZTBGNFPQBURSDU-UHFFFAOYSA-N
MW332.03 g/mol
LogP5.20
Rot. Bonds2

About 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine

3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine (PubChem CID 106876466) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
PubChem CID106876466
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cc(Cl)cc(Cl)c2)c1Br
InChIInChI=1S/C12H9BrCl2N2/c1-7-2-3-16-12(11(7)13)17-10-5-8(14)4-9(15)6-10/h2-6H,1H3,(H,16,17)
InChIKeyZTBGNFPQBURSDU-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.03
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
CID 106876502
3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 106877354
5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
CID 106876452
3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 106875473
3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
CID 106876475
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine (CID 106876466) is 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine is Cc1ccnc(Nc2cc(Cl)cc(Cl)c2)c1Br.
What is the InChIKey of 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine?
The InChIKey is ZTBGNFPQBURSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c1-7-2-3-16-12(11(7)13)17-10-5-8(14)4-9(15)6-10/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine?
3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine has a molecular weight of 332.03 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106876466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).