[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol

C8H9ClF2N2O — CID 130107519

IUPAC[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cc(C(F)F)nc(CO)c1CCl
InChIInChI=1S/C8H9ClF2N2O/c9-2-4-5(12)1-6(8(10)11)13-7(4)3-14/h1,8,14H,2-3H2,(H2,12,13)
InChIKeySSJUWWSHAHSHMC-UHFFFAOYSA-N
MW222.62 g/mol
LogP1.83
Rot. Bonds3

About [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol

[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130107519) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130107519
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cc(C(F)F)nc(CO)c1CCl
InChIInChI=1S/C8H9ClF2N2O/c9-2-4-5(12)1-6(8(10)11)13-7(4)3-14/h1,8,14H,2-3H2,(H2,12,13)
InChIKeySSJUWWSHAHSHMC-UHFFFAOYSA-N
XLogP1.83
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-amino-3-(chloromethyl)-6-(difluoromethyl)-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

[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756
ethyl 2-[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134685817
2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107709
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070605
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065
[2-amino-4-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 119002852
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
[6-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]methanol
CID 130081090
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol (CID 130107519) is [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol is Nc1cc(C(F)F)nc(CO)c1CCl.
What is the InChIKey of [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is SSJUWWSHAHSHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c9-2-4-5(12)1-6(8(10)11)13-7(4)3-14/h1,8,14H,2-3H2,(H2,12,13).
What are the key properties of [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol?
[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 222.62 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130107519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).