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

C12H7Cl4NO — CID 134636116

IUPAC[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl
InChIInChI=1S/C12H7Cl4NO/c13-8-2-1-7(11(15)12(8)16)6-3-9(14)10(5-18)17-4-6/h1-4,18H,5H2
InChIKeyZINLUMYVFNCCLC-UHFFFAOYSA-N
MW323.01 g/mol
LogP4.85
Rot. Bonds2

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

[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol (PubChem CID 134636116) has the molecular formula C12H7Cl4NO and a molecular weight of 323.01 g/mol. Its IUPAC name is [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
PubChem CID134636116
Molecular FormulaC12H7Cl4NO
Molecular Weight323.01 g/mol
Exact Mass320.93
IUPAC Name[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ncc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl
InChIInChI=1S/C12H7Cl4NO/c13-8-2-1-7(11(15)12(8)16)6-3-9(14)10(5-18)17-4-6/h1-4,18H,5H2
InChIKeyZINLUMYVFNCCLC-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_2', 'substructure': 'N/A'}

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Related Compounds

[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636826
[3-chloro-5-(3-fluorophenyl)-2-pyridinyl]methanol
CID 67155008
2-[2-fluoro-5-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 133090375
[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134623378
3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine
CID 119017203
1-[4-[5-chloro-6-(hydroxymethyl)-3-pyridinyl]-3-methylphenyl]-2-methylsulfonylethanone
CID 159410962
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
4-(2,3,4-trichlorophenyl)-1H-pyridazin-6-one
CID 174358567
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 134637224

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol (CID 134636116) is [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol is OCc1ncc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl.
What is the InChIKey of [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is ZINLUMYVFNCCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO/c13-8-2-1-7(11(15)12(8)16)6-3-9(14)10(5-18)17-4-6/h1-4,18H,5H2.
What are the key properties of [3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
[3-chloro-5-(2,3,4-trichlorophenyl)-2-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-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134636116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).