[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol

C12H8Cl3NO — CID 134636826

IUPAC[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl3NO/c13-9-4-3-8(11(14)12(9)15)7-2-1-5-16-10(7)6-17/h1-5,17H,6H2
InChIKeyUTSHXGXTJBXSNN-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.20
Rot. Bonds2

About [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol

[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol (PubChem CID 134636826) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
PubChem CID134636826
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl3NO/c13-9-4-3-8(11(14)12(9)15)7-2-1-5-16-10(7)6-17/h1-5,17H,6H2
InChIKeyUTSHXGXTJBXSNN-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[3-(2-chlorophenyl)-2-pyridinyl]methanol
CID 154672762
2-(2,3,4-trichlorophenyl)pyridin-3-ol
CID 133092358
[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636116
3-(2-chlorophenyl)-2-ethylpyridine
CID 118357808
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
3-(2-chlorophenyl)-2-propylpyridine
CID 71204387
2-chloro-3-(2,3,4-trichlorophenyl)aniline
CID 134624040
2-chloro-6-(2,3,4-trichlorophenyl)aniline
CID 134618448
(4-chloro-3-fluoro-2-pyridinyl)methanol
CID 19791242
(4-chloro-3-pyrimidin-2-ylphenyl)methanol
CID 70522497
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496
sodium 3-chloro-2-(hydroxymethyl)pyridine-4-thiolate
CID 146485561

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol (CID 134636826) is [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol is OCc1ncccc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is UTSHXGXTJBXSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-9-4-3-8(11(14)12(9)15)7-2-1-5-16-10(7)6-17/h1-5,17H,6H2.
What are the key properties of [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol has a molecular weight of 288.56 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134636826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).