2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol

C6H2ClF4NO2 — CID 130785777

IUPAC2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(F)cc(OC(F)(F)F)nc1Cl
InChIInChI=1S/C6H2ClF4NO2/c7-5-4(13)2(8)1-3(12-5)14-6(9,10)11/h1,13H
InChIKeyGJZDEVICBFWCPY-UHFFFAOYSA-N
MW231.53 g/mol
LogP2.48
Rot. Bonds1

About 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol

2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130785777) has the molecular formula C6H2ClF4NO2 and a molecular weight of 231.53 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
PubChem CID130785777
Molecular FormulaC6H2ClF4NO2
Molecular Weight231.53 g/mol
Exact Mass230.97
IUPAC Name2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(F)cc(OC(F)(F)F)nc1Cl
InChIInChI=1S/C6H2ClF4NO2/c7-5-4(13)2(8)1-3(12-5)14-6(9,10)11/h1,13H
InChIKeyGJZDEVICBFWCPY-UHFFFAOYSA-N
XLogP2.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.53
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 118799496
4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118811553
3,4-difluoro-6-(trifluoromethoxy)pyridin-2-amine
CID 130094119
2,4-difluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 130094224
2-(fluoromethyl)-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridin-3-ol
CID 134681363
3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 119000437
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
4-bromo-2-chloro-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118844616
6-amino-2-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118999095
3-fluoro-2-methyl-6-(trifluoromethoxy)pyridin-4-amine
CID 118806561
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
3-hydroxy-2-methyl-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130112262

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol (CID 130785777) is 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol is Oc1c(F)cc(OC(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is GJZDEVICBFWCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF4NO2/c7-5-4(13)2(8)1-3(12-5)14-6(9,10)11/h1,13H.
What are the key properties of 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol?
2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 231.53 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130785777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).