(2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol

C12H8Cl3NO — CID 3061982

IUPAC(2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)c1cccnc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-3-4-8(10(14)6-7)11(17)9-2-1-5-16-12(9)15/h1-6,11,17H
InChIKeyCYHZWNMBLCYKNZ-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.12
Rot. Bonds2

About (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol

(2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol (PubChem CID 3061982) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol
PubChem CID3061982
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name(2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)c1cccnc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-3-4-8(10(14)6-7)11(17)9-2-1-5-16-12(9)15/h1-6,11,17H
InChIKeyCYHZWNMBLCYKNZ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol?
The IUPAC name of (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol (CID 3061982) is (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol?
The canonical SMILES for (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol is OC(c1ccc(Cl)cc1Cl)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol?
The InChIKey is CYHZWNMBLCYKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-7-3-4-8(10(14)6-7)11(17)9-2-1-5-16-12(9)15/h1-6,11,17H.
What are the key properties of (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol?
(2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol has a molecular weight of 288.56 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 3061982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).