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

C9H10ClF2NO2 — CID 118840334

IUPAC[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
SMILESCOc1cnc(C(F)F)c(CO)c1CCl
InChIInChI=1S/C9H10ClF2NO2/c1-15-7-3-13-8(9(11)12)6(4-14)5(7)2-10/h3,9,14H,2,4H2,1H3
InChIKeyWVCHQFFSLZGUET-UHFFFAOYSA-N
MW237.63 g/mol
LogP2.26
Rot. Bonds4

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

[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol (PubChem CID 118840334) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
PubChem CID118840334
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
SMILESCOc1cnc(C(F)F)c(CO)c1CCl
InChIInChI=1S/C9H10ClF2NO2/c1-15-7-3-13-8(9(11)12)6(4-14)5(7)2-10/h3,9,14H,2,4H2,1H3
InChIKeyWVCHQFFSLZGUET-UHFFFAOYSA-N
XLogP2.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 52.26
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

[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
[2-(difluoromethyl)-4-fluoro-5-methoxy-3-pyridinyl]methanol
CID 130080710
[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 130085626
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol?
The IUPAC name of [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol (CID 118840334) is [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol.
What is the SMILES notation for [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol?
The canonical SMILES for [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol is COc1cnc(C(F)F)c(CO)c1CCl.
What is the InChIKey of [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol?
The InChIKey is WVCHQFFSLZGUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-15-7-3-13-8(9(11)12)6(4-14)5(7)2-10/h3,9,14H,2,4H2,1H3.
What are the key properties of [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol?
[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol has a molecular weight of 237.63 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol is sourced from PubChem (CID 118840334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).