N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine

C13H12BrCl2N3 — CID 103582930

IUPACN-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
SMILESCN(Cc1cc(N)ccc1Cl)c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2N3/c1-19(13-12(16)5-9(14)6-18-13)7-8-4-10(17)2-3-11(8)15/h2-6H,7,17H2,1H3
InChIKeyLPQZUBVJKMHMSI-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.37
Rot. Bonds3

About N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine

N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine (PubChem CID 103582930) has the molecular formula C13H12BrCl2N3 and a molecular weight of 361.07 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
PubChem CID103582930
Molecular FormulaC13H12BrCl2N3
Molecular Weight361.07 g/mol
Exact Mass358.96
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
SMILESCN(Cc1cc(N)ccc1Cl)c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2N3/c1-19(13-12(16)5-9(14)6-18-13)7-8-4-10(17)2-3-11(8)15/h2-6H,7,17H2,1H3
InChIKeyLPQZUBVJKMHMSI-UHFFFAOYSA-N
XLogP4.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103584238
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894555
5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 103580161
5-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 115490495
5-bromo-N-[(2-chlorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 61415070
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64829899
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine (CID 103582930) is N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine is CN(Cc1cc(N)ccc1Cl)c1ncc(Br)cc1Cl.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
The InChIKey is LPQZUBVJKMHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3/c1-19(13-12(16)5-9(14)6-18-13)7-8-4-10(17)2-3-11(8)15/h2-6H,7,17H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine has a molecular weight of 361.07 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 103582930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).