5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol

C8H8ClF2NO2 — CID 130083299

IUPAC5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
SMILESCOc1ncc(CCl)c(C(F)F)c1O
InChIInChI=1S/C8H8ClF2NO2/c1-14-8-6(13)5(7(10)11)4(2-9)3-12-8/h3,7,13H,2H2,1H3
InChIKeyLPSHRICGNYEWNS-UHFFFAOYSA-N
MW223.61 g/mol
LogP2.47
Rot. Bonds3

About 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol

5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol (PubChem CID 130083299) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol.

Molecular Properties

Compound Name5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
PubChem CID130083299
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
SMILESCOc1ncc(CCl)c(C(F)F)c1O
InChIInChI=1S/C8H8ClF2NO2/c1-14-8-6(13)5(7(10)11)4(2-9)3-12-8/h3,7,13H,2H2,1H3
InChIKeyLPSHRICGNYEWNS-UHFFFAOYSA-N
XLogP2.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130073716
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
CID 118839763

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol?
The IUPAC name of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol (CID 130083299) is 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol.
What is the SMILES notation for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol?
The canonical SMILES for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol is COc1ncc(CCl)c(C(F)F)c1O.
What is the InChIKey of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol?
The InChIKey is LPSHRICGNYEWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c1-14-8-6(13)5(7(10)11)4(2-9)3-12-8/h3,7,13H,2H2,1H3.
What are the key properties of 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol?
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol has a molecular weight of 223.61 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol is sourced from PubChem (CID 130083299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).