2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine

C11H6Cl4N2 — CID 134636944

IUPAC2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2Cl)cnc1Cl
InChIInChI=1S/C11H6Cl4N2/c12-6-2-7(10(14)8(13)3-6)5-1-9(16)11(15)17-4-5/h1-4H,16H2
InChIKeyCAOONPUVJYTHOE-UHFFFAOYSA-N
MW308.00 g/mol
LogP4.94
Rot. Bonds1

About 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine

2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine (PubChem CID 134636944) has the molecular formula C11H6Cl4N2 and a molecular weight of 308.00 g/mol. Its IUPAC name is 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
PubChem CID134636944
Molecular FormulaC11H6Cl4N2
Molecular Weight308.00 g/mol
Exact Mass305.93
IUPAC Name2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2Cl)cnc1Cl
InChIInChI=1S/C11H6Cl4N2/c12-6-2-7(10(14)8(13)3-6)5-1-9(16)11(15)17-4-5/h1-4H,16H2
InChIKeyCAOONPUVJYTHOE-UHFFFAOYSA-N
XLogP4.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.00
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
CID 119024598
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
2,5-dichloropyridin-3-amine
CID 2799999
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971
2-chloro-5-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 119006573
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218
3-chloro-2-(2,3,5-trichlorophenyl)aniline
CID 119002694
4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 119002817
2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile
CID 119005725
5-(2,3-dichlorophenyl)-2-methoxypyridin-3-amine
CID 133087146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine (CID 134636944) is 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine is Nc1cc(-c2cc(Cl)cc(Cl)c2Cl)cnc1Cl.
What is the InChIKey of 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine?
The InChIKey is CAOONPUVJYTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl4N2/c12-6-2-7(10(14)8(13)3-6)5-1-9(16)11(15)17-4-5/h1-4H,16H2.
What are the key properties of 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine?
2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine has a molecular weight of 308.00 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine is sourced from PubChem (CID 134636944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).