2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine

C13H12Cl2N2 — CID 114050809

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cnc(Cl)c(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12Cl2N2/c1-9-6-12(13(15)17-7-9)16-8-10-2-4-11(14)5-3-10/h2-7,16H,8H2,1H3
InChIKeyVAPYGUSNQUHNLO-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine

2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine (PubChem CID 114050809) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine
PubChem CID114050809
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine
SMILESCc1cnc(Cl)c(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H12Cl2N2/c1-9-6-12(13(15)17-7-9)16-8-10-2-4-11(14)5-3-10/h2-7,16H,8H2,1H3
InChIKeyVAPYGUSNQUHNLO-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine
CID 114050852
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610909
2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 114050796
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
CID 102979634
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706
5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114051940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine (CID 114050809) is 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine is Cc1cnc(Cl)c(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine?
The InChIKey is VAPYGUSNQUHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-9-6-12(13(15)17-7-9)16-8-10-2-4-11(14)5-3-10/h2-7,16H,8H2,1H3.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine?
2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine has a molecular weight of 267.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 114050809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).