4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol

C6H3ClF3NO — CID 118839459

IUPAC4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
SMILESOc1c(F)ncc(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO/c7-3-2(5(8)9)1-11-6(10)4(3)12/h1,5,12H
InChIKeyVGVYZUXIFPALCM-UHFFFAOYSA-N
MW197.54 g/mol
LogP2.52
Rot. Bonds1

About 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol

4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol (PubChem CID 118839459) has the molecular formula C6H3ClF3NO and a molecular weight of 197.54 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
PubChem CID118839459
Molecular FormulaC6H3ClF3NO
Molecular Weight197.54 g/mol
Exact Mass196.99
IUPAC Name4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
SMILESOc1c(F)ncc(C(F)F)c1Cl
InChIInChI=1S/C6H3ClF3NO/c7-3-2(5(8)9)1-11-6(10)4(3)12/h1,5,12H
InChIKeyVGVYZUXIFPALCM-UHFFFAOYSA-N
XLogP2.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.54
LogP ≤ 52.52
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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Related Compounds

3,4-dichloro-5-(difluoromethyl)-2-fluoropyridine
CID 130099211
3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
CID 130107809
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118829005
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 130095389
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
3-(difluoromethyl)-2,5-difluoropyridine
CID 70480194
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol?
The IUPAC name of 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol (CID 118839459) is 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol is Oc1c(F)ncc(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol?
The InChIKey is VGVYZUXIFPALCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO/c7-3-2(5(8)9)1-11-6(10)4(3)12/h1,5,12H.
What are the key properties of 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol?
4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol has a molecular weight of 197.54 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol is sourced from PubChem (CID 118839459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).