5-(2,3,6-trichlorophenyl)pyridin-3-ol

C11H6Cl3NO — CID 130088550

IUPAC5-(2,3,6-trichlorophenyl)pyridin-3-ol
SMILESOc1cncc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C11H6Cl3NO/c12-8-1-2-9(13)11(14)10(8)6-3-7(16)5-15-4-6/h1-5,16H
InChIKeyKMVHFSUQVRAQFM-UHFFFAOYSA-N
MW274.53 g/mol
LogP4.41
Rot. Bonds1

About 5-(2,3,6-trichlorophenyl)pyridin-3-ol

5-(2,3,6-trichlorophenyl)pyridin-3-ol (PubChem CID 130088550) has the molecular formula C11H6Cl3NO and a molecular weight of 274.53 g/mol. Its IUPAC name is 5-(2,3,6-trichlorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(2,3,6-trichlorophenyl)pyridin-3-ol
PubChem CID130088550
Molecular FormulaC11H6Cl3NO
Molecular Weight274.53 g/mol
Exact Mass272.95
IUPAC Name5-(2,3,6-trichlorophenyl)pyridin-3-ol
SMILESOc1cncc(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C11H6Cl3NO/c12-8-1-2-9(13)11(14)10(8)6-3-7(16)5-15-4-6/h1-5,16H
InChIKeyKMVHFSUQVRAQFM-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': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092526
6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092618
5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 122667682
3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637276
5-(4-chloro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63851002
[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
CID 134628956
5-bromopyridin-3-ol
CID 599529
5-(7-chloro-4-methoxy-1H-indol-5-yl)pyridin-3-ol
CID 131970977
5-(2,3,4-trifluorophenyl)pyridin-3-ol
CID 79020426
2-[2-amino-5-(2,3,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119022137
3,5-bis(3,4,5-trichlorophenyl)pyridine
CID 134623434
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,6-trichlorophenyl)pyridin-3-ol?
The IUPAC name of 5-(2,3,6-trichlorophenyl)pyridin-3-ol (CID 130088550) is 5-(2,3,6-trichlorophenyl)pyridin-3-ol.
What is the SMILES notation for 5-(2,3,6-trichlorophenyl)pyridin-3-ol?
The canonical SMILES for 5-(2,3,6-trichlorophenyl)pyridin-3-ol is Oc1cncc(-c2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of 5-(2,3,6-trichlorophenyl)pyridin-3-ol?
The InChIKey is KMVHFSUQVRAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO/c12-8-1-2-9(13)11(14)10(8)6-3-7(16)5-15-4-6/h1-5,16H.
What are the key properties of 5-(2,3,6-trichlorophenyl)pyridin-3-ol?
5-(2,3,6-trichlorophenyl)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 5-(2,3,6-trichlorophenyl)pyridin-3-ol is sourced from PubChem (CID 130088550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).