[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol

C12H7Cl4NO — CID 134625713

IUPAC[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc(Cl)c(Cl)cc2Cl)c1Cl
InChIInChI=1S/C12H7Cl4NO/c13-8-4-10(15)9(14)3-7(8)12-11(16)6(5-18)1-2-17-12/h1-4,18H,5H2
InChIKeyLFNMVPALAPWVEN-UHFFFAOYSA-N
MW323.01 g/mol
LogP4.85
Rot. Bonds2

About [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol

[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol (PubChem CID 134625713) has the molecular formula C12H7Cl4NO and a molecular weight of 323.01 g/mol. Its IUPAC name is [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
PubChem CID134625713
Molecular FormulaC12H7Cl4NO
Molecular Weight323.01 g/mol
Exact Mass320.93
IUPAC Name[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc(Cl)c(Cl)cc2Cl)c1Cl
InChIInChI=1S/C12H7Cl4NO/c13-8-4-10(15)9(14)3-7(8)12-11(16)6(5-18)1-2-17-12/h1-4,18H,5H2
InChIKeyLFNMVPALAPWVEN-UHFFFAOYSA-N
XLogP4.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.01
LogP ≤ 54.85
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

[2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 133086599
3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 134625710
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133086569
2-[3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134621276
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
[2-amino-3-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119005469
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134623378

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol (CID 134625713) is [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol is OCc1ccnc(-c2cc(Cl)c(Cl)cc2Cl)c1Cl.
What is the InChIKey of [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The InChIKey is LFNMVPALAPWVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO/c13-8-4-10(15)9(14)3-7(8)12-11(16)6(5-18)1-2-17-12/h1-4,18H,5H2.
What are the key properties of [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol has a molecular weight of 323.01 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 134625713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).