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

C11H7Cl3N2 — CID 119008839

IUPAC4-(2,3,5-trichlorophenyl)pyridin-2-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccn1
InChIInChI=1S/C11H7Cl3N2/c12-7-4-8(11(14)9(13)5-7)6-1-2-16-10(15)3-6/h1-5H,(H2,15,16)
InChIKeyBAXKDRHWKKGOAM-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.29
Rot. Bonds1

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

4-(2,3,5-trichlorophenyl)pyridin-2-amine (PubChem CID 119008839) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 4-(2,3,5-trichlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2,3,5-trichlorophenyl)pyridin-2-amine
PubChem CID119008839
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name4-(2,3,5-trichlorophenyl)pyridin-2-amine
SMILESNc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccn1
InChIInChI=1S/C11H7Cl3N2/c12-7-4-8(11(14)9(13)5-7)6-1-2-16-10(15)3-6/h1-5H,(H2,15,16)
InChIKeyBAXKDRHWKKGOAM-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.29
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

4-(2,3,5,6-tetrachlorophenyl)pyridin-2-amine
CID 102821923
4-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 119002817
2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
CID 134636944
2-amino-3-(2,3,5-trichlorophenyl)pyridine-4-carbonitrile
CID 119005725
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
4-(2,3,4-trifluorophenyl)pyridin-2-amine
CID 104877319
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol
CID 133092564
3-(2,3,5-trichlorophenyl)thiophene
CID 130088556
1-(4-bromo-3-chlorophenyl)-2,3,5-trichlorobenzene
CID 101423965
2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 134637480
5-amino-6-(2,3,5-trichlorophenyl)pyridine-3-carbonitrile
CID 134637971

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trichlorophenyl)pyridin-2-amine?
The IUPAC name of 4-(2,3,5-trichlorophenyl)pyridin-2-amine (CID 119008839) is 4-(2,3,5-trichlorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-(2,3,5-trichlorophenyl)pyridin-2-amine?
The canonical SMILES for 4-(2,3,5-trichlorophenyl)pyridin-2-amine is Nc1cc(-c2cc(Cl)cc(Cl)c2Cl)ccn1.
What is the InChIKey of 4-(2,3,5-trichlorophenyl)pyridin-2-amine?
The InChIKey is BAXKDRHWKKGOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-7-4-8(11(14)9(13)5-7)6-1-2-16-10(15)3-6/h1-5H,(H2,15,16).
What are the key properties of 4-(2,3,5-trichlorophenyl)pyridin-2-amine?
4-(2,3,5-trichlorophenyl)pyridin-2-amine has a molecular weight of 273.55 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trichlorophenyl)pyridin-2-amine is sourced from PubChem (CID 119008839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).