3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine

C15H16BrClN2 — CID 105368776

IUPAC3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2cccc(CCCCl)c2)c(Br)c1
InChIInChI=1S/C15H16BrClN2/c1-11-8-14(16)15(18-10-11)19-13-6-2-4-12(9-13)5-3-7-17/h2,4,6,8-10H,3,5,7H2,1H3,(H,18,19)
InChIKeyQUUOMKIMXLJBEM-UHFFFAOYSA-N
MW339.66 g/mol
LogP5.07
Rot. Bonds5

About 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine

3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine (PubChem CID 105368776) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
PubChem CID105368776
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine
SMILESCc1cnc(Nc2cccc(CCCCl)c2)c(Br)c1
InChIInChI=1S/C15H16BrClN2/c1-11-8-14(16)15(18-10-11)19-13-6-2-4-12(9-13)5-3-7-17/h2,4,6,8-10H,3,5,7H2,1H3,(H,18,19)
InChIKeyQUUOMKIMXLJBEM-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.66
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
5-bromo-N-[3-(3-chloropropyl)phenyl]-3-fluoropyridin-2-amine
CID 114047952
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
3-bromo-N-(3,5-dichlorophenyl)-5-methylpyridin-2-amine
CID 84609267
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
CID 65027661
3,5-dibromo-N-(3-chlorophenyl)pyridin-2-amine
CID 13314026
3-bromo-5-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 58028170

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine (CID 105368776) is 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine is Cc1cnc(Nc2cccc(CCCCl)c2)c(Br)c1.
What is the InChIKey of 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine?
The InChIKey is QUUOMKIMXLJBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-11-8-14(16)15(18-10-11)19-13-6-2-4-12(9-13)5-3-7-17/h2,4,6,8-10H,3,5,7H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine?
3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine has a molecular weight of 339.66 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(3-chloropropyl)phenyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 105368776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).