3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol

C9H11ClFNO2 — CID 171861738

IUPAC3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
SMILESCc1cc(C(O)C(O)CCl)cnc1F
InChIInChI=1S/C9H11ClFNO2/c1-5-2-6(4-12-9(5)11)8(14)7(13)3-10/h2,4,7-8,13-14H,3H2,1H3
InChIKeyVZCHNMOSLXLWEA-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.16
Rot. Bonds3

About 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol

3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol (PubChem CID 171861738) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
PubChem CID171861738
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol
SMILESCc1cc(C(O)C(O)CCl)cnc1F
InChIInChI=1S/C9H11ClFNO2/c1-5-2-6(4-12-9(5)11)8(14)7(13)3-10/h2,4,7-8,13-14H,3H2,1H3
InChIKeyVZCHNMOSLXLWEA-UHFFFAOYSA-N
XLogP1.16
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol 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-(6-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869933
1-(5-amino-6-methyl-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861696
(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
CID 146531706
(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
CID 55292212
(1S)-1-(6-fluoro-5-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55274137
3-chloro-1-(2-methoxypyrimidin-5-yl)propane-1,2-diol
CID 171861723
1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861677
4-(3-chloro-1,2-dihydroxypropyl)-2,6-dimethylbenzoic acid
CID 171862598
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
CID 55272910
1-(5-chloro-6-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872046
5-(4-chloro-1,2-dihydroxybutyl)-3-methylpyridine-2-carbonitrile
CID 171893773
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol (CID 171861738) is 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol is Cc1cc(C(O)C(O)CCl)cnc1F.
What is the InChIKey of 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol?
The InChIKey is VZCHNMOSLXLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-5-2-6(4-12-9(5)11)8(14)7(13)3-10/h2,4,7-8,13-14H,3H2,1H3.
What are the key properties of 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol?
3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol has a molecular weight of 219.64 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(6-fluoro-5-methyl-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 171861738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).