2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine

C12H9Cl3N2 — CID 133086502

IUPAC2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
SMILESCc1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1N
InChIInChI=1S/C12H9Cl3N2/c1-6-11(16)2-3-12(17-6)7-4-9(14)10(15)5-8(7)13/h2-5H,16H2,1H3
InChIKeyAZXJQLZHXDDOJU-UHFFFAOYSA-N
MW287.58 g/mol
LogP4.60
Rot. Bonds1

About 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine

2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine (PubChem CID 133086502) has the molecular formula C12H9Cl3N2 and a molecular weight of 287.58 g/mol. Its IUPAC name is 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
PubChem CID133086502
Molecular FormulaC12H9Cl3N2
Molecular Weight287.58 g/mol
Exact Mass285.98
IUPAC Name2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
SMILESCc1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1N
InChIInChI=1S/C12H9Cl3N2/c1-6-11(16)2-3-12(17-6)7-4-9(14)10(15)5-8(7)13/h2-5H,16H2,1H3
InChIKeyAZXJQLZHXDDOJU-UHFFFAOYSA-N
XLogP4.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
CID 165352055
6-(2-chloro-3-pyridinyl)-2-methylpyridin-3-amine
CID 112547307
[3-amino-6-(2-chloro-4-methylphenyl)-2-pyridinyl]methanediamine
CID 167055087
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
2-[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]propan-2-amine
CID 82452828
6-(2-chloro-4-methylphenyl)pyridin-2-amine
CID 165447815
5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
2-chloro-4-methylaniline
CID 12007
2,6-dimethylpyridin-3-amine;ethane
CID 142906419
4-methyl-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197887
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
2-methyl-6-(2-methyltriazol-4-yl)pyridin-3-amine
CID 126985521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine?
The IUPAC name of 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine (CID 133086502) is 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine?
The canonical SMILES for 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine is Cc1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1N.
What is the InChIKey of 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine?
The InChIKey is AZXJQLZHXDDOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2/c1-6-11(16)2-3-12(17-6)7-4-9(14)10(15)5-8(7)13/h2-5H,16H2,1H3.
What are the key properties of 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine?
2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine has a molecular weight of 287.58 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine is sourced from PubChem (CID 133086502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).