[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol

C8H8ClF2NO2 — CID 130073890

IUPAC[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
SMILESCOc1c(C(F)F)cnc(CO)c1Cl
InChIInChI=1S/C8H8ClF2NO2/c1-14-7-4(8(10)11)2-12-5(3-13)6(7)9/h2,8,13H,3H2,1H3
InChIKeyLAGBLEZPLKODKW-UHFFFAOYSA-N
MW223.61 g/mol
LogP2.17
Rot. Bonds3

About [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol

[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol (PubChem CID 130073890) has the molecular formula C8H8ClF2NO2 and a molecular weight of 223.61 g/mol. Its IUPAC name is [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
PubChem CID130073890
Molecular FormulaC8H8ClF2NO2
Molecular Weight223.61 g/mol
Exact Mass223.02
IUPAC Name[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
SMILESCOc1c(C(F)F)cnc(CO)c1Cl
InChIInChI=1S/C8H8ClF2NO2/c1-14-7-4(8(10)11)2-12-5(3-13)6(7)9/h2,8,13H,3H2,1H3
InChIKeyLAGBLEZPLKODKW-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(difluoromethyl)-2,4-dimethoxypyridine
CID 130100817
3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130072984
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927
[5-chloro-6-(difluoromethyl)-4-methoxy-3-pyridinyl]methanol
CID 130073877
2-[3-(chloromethyl)-5-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 133099654
methyl 2-[5-(difluoromethyl)-3-fluoro-4-methoxy-2-pyridinyl]acetate
CID 133105735
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
CID 130083427
2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 133099810

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol (CID 130073890) is [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol is COc1c(C(F)F)cnc(CO)c1Cl.
What is the InChIKey of [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
The InChIKey is LAGBLEZPLKODKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO2/c1-14-7-4(8(10)11)2-12-5(3-13)6(7)9/h2,8,13H,3H2,1H3.
What are the key properties of [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol?
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol has a molecular weight of 223.61 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 130073890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).