6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol

C7H6ClF2NO2 — CID 119001935

IUPAC6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
SMILESOCc1nc(Cl)c(C(F)F)cc1O
InChIInChI=1S/C7H6ClF2NO2/c8-6-3(7(9)10)1-5(13)4(2-12)11-6/h1,7,12-13H,2H2
InChIKeyKEJNGYLMSQZPBL-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.87
Rot. Bonds2

About 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol

6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol (PubChem CID 119001935) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
PubChem CID119001935
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
SMILESOCc1nc(Cl)c(C(F)F)cc1O
InChIInChI=1S/C7H6ClF2NO2/c8-6-3(7(9)10)1-5(13)4(2-12)11-6/h1,7,12-13H,2H2
InChIKeyKEJNGYLMSQZPBL-UHFFFAOYSA-N
XLogP1.87
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012569
methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134676745
5-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 134660021
[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130074984
6-amino-4-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 130104825
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
2-(bromomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118804599
[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118806568

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol?
The IUPAC name of 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol (CID 119001935) is 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol is OCc1nc(Cl)c(C(F)F)cc1O.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol?
The InChIKey is KEJNGYLMSQZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c8-6-3(7(9)10)1-5(13)4(2-12)11-6/h1,7,12-13H,2H2.
What are the key properties of 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol?
6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol has a molecular weight of 209.58 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol is sourced from PubChem (CID 119001935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).