4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol

C12H8Cl3NO — CID 133092564

IUPAC4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol
SMILESCc1ccnc(-c2cc(Cl)cc(Cl)c2Cl)c1O
InChIInChI=1S/C12H8Cl3NO/c1-6-2-3-16-11(12(6)17)8-4-7(13)5-9(14)10(8)15/h2-5,17H,1H3
InChIKeyLGQKOOLSYOSLHB-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.72
Rot. Bonds1

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

4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol (PubChem CID 133092564) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol
PubChem CID133092564
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol
SMILESCc1ccnc(-c2cc(Cl)cc(Cl)c2Cl)c1O
InChIInChI=1S/C12H8Cl3NO/c1-6-2-3-16-11(12(6)17)8-4-7(13)5-9(14)10(8)15/h2-5,17H,1H3
InChIKeyLGQKOOLSYOSLHB-UHFFFAOYSA-N
XLogP4.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.72
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

5-chloro-2-(3-fluoro-4-methyl-2-pyridinyl)phenol
CID 177205307
4-(2,3,5-trichlorophenyl)pyridin-2-amine
CID 119008839
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2,4-dichloro-6-(3,4-dimethylphenyl)phenol
CID 82107036
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
CID 118991314
2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 134637480
6,8-dichloro-4-methylquinoline;ethane
CID 177201451
4-methyl-2-pyridin-2-ylpyridin-3-ol
CID 142200360
6,8-dichloro-4-methylquinoline;ethane
CID 177201180
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine
CID 134637483

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol?
The IUPAC name of 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol (CID 133092564) is 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol.
What is the SMILES notation for 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol?
The canonical SMILES for 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol is Cc1ccnc(-c2cc(Cl)cc(Cl)c2Cl)c1O.
What is the InChIKey of 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol?
The InChIKey is LGQKOOLSYOSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c1-6-2-3-16-11(12(6)17)8-4-7(13)5-9(14)10(8)15/h2-5,17H,1H3.
What are the key properties of 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol?
4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol has a molecular weight of 288.56 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,3,5-trichlorophenyl)pyridin-3-ol is sourced from PubChem (CID 133092564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).