3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine

C13H11BrClFN2 — CID 112734776

IUPAC3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(Nc2nccc(C)c2Br)c(Cl)cc1F
InChIInChI=1S/C13H11BrClFN2/c1-7-3-4-17-13(12(7)14)18-11-5-8(2)10(16)6-9(11)15/h3-6H,1-2H3,(H,17,18)
InChIKeyIUEOPMIMFGMQBQ-UHFFFAOYSA-N
MW329.60 g/mol
LogP5.00
Rot. Bonds2

About 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine

3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine (PubChem CID 112734776) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
PubChem CID112734776
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1cc(Nc2nccc(C)c2Br)c(Cl)cc1F
InChIInChI=1S/C13H11BrClFN2/c1-7-3-4-17-13(12(7)14)18-11-5-8(2)10(16)6-9(11)15/h3-6H,1-2H3,(H,17,18)
InChIKeyIUEOPMIMFGMQBQ-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methylpyridin-2-amine
CID 106876475
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
CID 106876466
3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
CID 106876933
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyridin-2-amine
CID 106875693
3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 106877354
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
CID 113445735
3-bromo-N-(2-methoxy-5-methylphenyl)-4-methylpyridin-2-amine
CID 106876474
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine (CID 112734776) is 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine is Cc1cc(Nc2nccc(C)c2Br)c(Cl)cc1F.
What is the InChIKey of 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine?
The InChIKey is IUEOPMIMFGMQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-7-3-4-17-13(12(7)14)18-11-5-8(2)10(16)6-9(11)15/h3-6H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine?
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine has a molecular weight of 329.60 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 112734776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).