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

C8H7ClF3NO — CID 130082230

IUPAC[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
SMILESOCc1c(C(F)F)ncc(F)c1CCl
InChIInChI=1S/C8H7ClF3NO/c9-1-4-5(3-14)7(8(11)12)13-2-6(4)10/h2,8,14H,1,3H2
InChIKeyANTJVXUYLXDVOI-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.39
Rot. Bonds3

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

[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol (PubChem CID 130082230) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
PubChem CID130082230
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
SMILESOCc1c(C(F)F)ncc(F)c1CCl
InChIInChI=1S/C8H7ClF3NO/c9-1-4-5(3-14)7(8(11)12)13-2-6(4)10/h2,8,14H,1,3H2
InChIKeyANTJVXUYLXDVOI-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(chloromethyl)-2-(difluoromethyl)-5-fluoro-4-pyridinyl]acetic acid
CID 130082407
[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 118840334
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641
ethyl 2-[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104227
4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine
CID 130082133
[2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130096431
4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
6-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)pyridin-3-ol
CID 130079568
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
[2-(difluoromethyl)-4-fluoro-5-methoxy-3-pyridinyl]methanol
CID 130080710

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
The IUPAC name of [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol (CID 130082230) is [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol is OCc1c(C(F)F)ncc(F)c1CCl.
What is the InChIKey of [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
The InChIKey is ANTJVXUYLXDVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-1-4-5(3-14)7(8(11)12)13-2-6(4)10/h2,8,14H,1,3H2.
What are the key properties of [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol?
[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol has a molecular weight of 225.60 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 130082230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).