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

C13H12BrFN2 — CID 106876933

IUPAC3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cccc(F)c2C)c1Br
InChIInChI=1S/C13H12BrFN2/c1-8-6-7-16-13(12(8)14)17-11-5-3-4-10(15)9(11)2/h3-7H,1-2H3,(H,16,17)
InChIKeyPOPUKCRTFVPTCL-UHFFFAOYSA-N
MW295.16 g/mol
LogP4.34
Rot. Bonds2

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

3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine (PubChem CID 106876933) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
PubChem CID106876933
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(Nc2cccc(F)c2C)c1Br
InChIInChI=1S/C13H12BrFN2/c1-8-6-7-16-13(12(8)14)17-11-5-3-4-10(15)9(11)2/h3-7H,1-2H3,(H,16,17)
InChIKeyPOPUKCRTFVPTCL-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 106877354
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 106876196
6-bromo-N-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958774
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80814540
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
CID 114254113
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
3-bromo-N-(2-methoxy-5-methylphenyl)-4-methylpyridin-2-amine
CID 106876474
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine (CID 106876933) is 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine is Cc1ccnc(Nc2cccc(F)c2C)c1Br.
What is the InChIKey of 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine?
The InChIKey is POPUKCRTFVPTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-8-6-7-16-13(12(8)14)17-11-5-3-4-10(15)9(11)2/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine?
3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine has a molecular weight of 295.16 g/mol, XLogP of 4.34, 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-fluoro-2-methylphenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106876933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).