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

C9H10ClF2NO — CID 130090443

IUPAC[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
SMILESCc1c(CO)ncc(C(F)F)c1CCl
InChIInChI=1S/C9H10ClF2NO/c1-5-6(2-10)7(9(11)12)3-13-8(5)4-14/h3,9,14H,2,4H2,1H3
InChIKeyZXPYKUXWVFNHAG-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.56
Rot. Bonds3

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

[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol (PubChem CID 130090443) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
PubChem CID130090443
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
SMILESCc1c(CO)ncc(C(F)F)c1CCl
InChIInChI=1S/C9H10ClF2NO/c1-5-6(2-10)7(9(11)12)3-13-8(5)4-14/h3,9,14H,2,4H2,1H3
InChIKeyZXPYKUXWVFNHAG-UHFFFAOYSA-N
XLogP2.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-bromo-3-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070609
2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
CID 118809945
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-methylpyridine
CID 119006119
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanol
CID 130087925
2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 133099810
3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
2-[3-(chloromethyl)-5-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 133099654
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The IUPAC name of [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol (CID 130090443) is [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The canonical SMILES for [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol is Cc1c(CO)ncc(C(F)F)c1CCl.
What is the InChIKey of [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
The InChIKey is ZXPYKUXWVFNHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-5-6(2-10)7(9(11)12)3-13-8(5)4-14/h3,9,14H,2,4H2,1H3.
What are the key properties of [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol?
[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol has a molecular weight of 221.63 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 130090443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).