6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol

C11H6Cl3NO — CID 119005357

IUPAC6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol
SMILESOc1cnc(Cl)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C11H6Cl3NO/c12-6-1-2-8(10(13)3-6)9-4-7(16)5-15-11(9)14/h1-5,16H
InChIKeyLCDMIOMANNCRJD-UHFFFAOYSA-N
MW274.53 g/mol
LogP4.41
Rot. Bonds1

About 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol

6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol (PubChem CID 119005357) has the molecular formula C11H6Cl3NO and a molecular weight of 274.53 g/mol. Its IUPAC name is 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol
PubChem CID119005357
Molecular FormulaC11H6Cl3NO
Molecular Weight274.53 g/mol
Exact Mass272.95
IUPAC Name6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol
SMILESOc1cnc(Cl)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C11H6Cl3NO/c12-6-1-2-8(10(13)3-6)9-4-7(16)5-15-11(9)14/h1-5,16H
InChIKeyLCDMIOMANNCRJD-UHFFFAOYSA-N
XLogP4.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.53
LogP ≤ 54.41
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 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol?
The IUPAC name of 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol (CID 119005357) is 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol.
What is the SMILES notation for 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol?
The canonical SMILES for 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol is Oc1cnc(Cl)c(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol?
The InChIKey is LCDMIOMANNCRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO/c12-6-1-2-8(10(13)3-6)9-4-7(16)5-15-11(9)14/h1-5,16H.
What are the key properties of 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol?
6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol has a molecular weight of 274.53 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol is sourced from PubChem (CID 119005357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).