6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol

C7H6ClF2NO2 — CID 119013301

IUPAC6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol
SMILESCOc1c(O)cnc(Cl)c1C(F)F
InChIInChI=1S/C7H6ClF2NO2/c1-13-5-3(12)2-11-6(8)4(5)7(9)10/h2,7,12H,1H3
InChIKeyIDWUURCEWSKECP-UHFFFAOYSA-N
MW209.58 g/mol
LogP2.39
Rot. Bonds2

About 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol

6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol (PubChem CID 119013301) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol
PubChem CID119013301
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol
SMILESCOc1c(O)cnc(Cl)c1C(F)F
InChIInChI=1S/C7H6ClF2NO2/c1-13-5-3(12)2-11-6(8)4(5)7(9)10/h2,7,12H,1H3
InChIKeyIDWUURCEWSKECP-UHFFFAOYSA-N
XLogP2.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 52.39
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

5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
CID 130083427
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732
6-chloro-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 118998226
6-chloro-4-(difluoromethyl)-5-methylpyridin-3-ol
CID 119014799
2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
CID 119010666
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
2-chloro-3-(difluoromethyl)-5-hydroxypyridine-4-sulfonamide
CID 130072896
methyl 2-[5-bromo-2-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134684094
6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 119000260
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol?
The IUPAC name of 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol (CID 119013301) is 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol is COc1c(O)cnc(Cl)c1C(F)F.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol?
The InChIKey is IDWUURCEWSKECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c1-13-5-3(12)2-11-6(8)4(5)7(9)10/h2,7,12H,1H3.
What are the key properties of 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol?
6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol has a molecular weight of 209.58 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-4-methoxypyridin-3-ol is sourced from PubChem (CID 119013301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).