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

C9H10ClF2NO2 — CID 118809943

IUPAC[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
SMILESCOc1nc(CCl)c(C(F)F)cc1CO
InChIInChI=1S/C9H10ClF2NO2/c1-15-9-5(4-14)2-6(8(11)12)7(3-10)13-9/h2,8,14H,3-4H2,1H3
InChIKeyMSNSDUKNWRQCKS-UHFFFAOYSA-N
MW237.63 g/mol
LogP2.26
Rot. Bonds4

About [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol

[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol (PubChem CID 118809943) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
PubChem CID118809943
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
SMILESCOc1nc(CCl)c(C(F)F)cc1CO
InChIInChI=1S/C9H10ClF2NO2/c1-15-9-5(4-14)2-6(8(11)12)7(3-10)13-9/h2,8,14H,3-4H2,1H3
InChIKeyMSNSDUKNWRQCKS-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

[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine;[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol
CID 159702476
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
CID 119023651
[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 133099748
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
methyl 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668977
2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
CID 134664061
[5-(difluoromethyl)-3-methoxy-6-methyl-2-pyridinyl]methanol
CID 130087918
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol?
The IUPAC name of [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol (CID 118809943) is [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol.
What is the SMILES notation for [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol?
The canonical SMILES for [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol is COc1nc(CCl)c(C(F)F)cc1CO.
What is the InChIKey of [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol?
The InChIKey is MSNSDUKNWRQCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-15-9-5(4-14)2-6(8(11)12)7(3-10)13-9/h2,8,14H,3-4H2,1H3.
What are the key properties of [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol?
[6-(chloromethyl)-5-(difluoromethyl)-2-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 [6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol is sourced from PubChem (CID 118809943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).