[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol

C12H7Cl4NO — CID 118999964

IUPAC[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(-c2c(Cl)ccc(Cl)c2Cl)nc1Cl
InChIInChI=1S/C12H7Cl4NO/c13-7-2-3-8(14)11(15)10(7)9-4-1-6(5-18)12(16)17-9/h1-4,18H,5H2
InChIKeyRYKWWMGLVUTRQG-UHFFFAOYSA-N
MW323.01 g/mol
LogP4.85
Rot. Bonds2

About [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol

[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol (PubChem CID 118999964) has the molecular formula C12H7Cl4NO and a molecular weight of 323.01 g/mol. Its IUPAC name is [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
PubChem CID118999964
Molecular FormulaC12H7Cl4NO
Molecular Weight323.01 g/mol
Exact Mass320.93
IUPAC Name[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
SMILESOCc1ccc(-c2c(Cl)ccc(Cl)c2Cl)nc1Cl
InChIInChI=1S/C12H7Cl4NO/c13-7-2-3-8(14)11(15)10(7)9-4-1-6(5-18)12(16)17-9/h1-4,18H,5H2
InChIKeyRYKWWMGLVUTRQG-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]methanol
CID 119008277
(2,4-dichloro-3-quinolin-2-ylphenyl)methanol
CID 174860669
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
CID 58333500
[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134626421
6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092618
[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134623898
(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol
CID 82449331
[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]methanol
CID 82452812
5-(bromomethyl)-3-(2,3,6-trichlorophenyl)-1,2-oxazole
CID 166596940
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134636998
[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
CID 134628956
[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 134637224

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol (CID 118999964) is [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol is OCc1ccc(-c2c(Cl)ccc(Cl)c2Cl)nc1Cl.
What is the InChIKey of [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
The InChIKey is RYKWWMGLVUTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO/c13-7-2-3-8(14)11(15)10(7)9-4-1-6(5-18)12(16)17-9/h1-4,18H,5H2.
What are the key properties of [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol?
[2-chloro-6-(2,3,6-trichlorophenyl)-3-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 [2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118999964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).