2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate

C9H9Cl2NO3 — CID 143641342

IUPAC2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate
SMILESCC(C)(O)OC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-9(2,14)15-8(13)5-3-4-6(10)12-7(5)11/h3-4,14H,1-2H3
InChIKeyWRWVTSGVMVGJCV-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.27
Rot. Bonds2

About 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate

2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate (PubChem CID 143641342) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate
PubChem CID143641342
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate
SMILESCC(C)(O)OC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-9(2,14)15-8(13)5-3-4-6(10)12-7(5)11/h3-4,14H,1-2H3
InChIKeyWRWVTSGVMVGJCV-UHFFFAOYSA-N
XLogP2.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate 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-methylcyclohexyl) 2,6-dichloropyridine-3-carboxylate
CID 106994582
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166524788
tert-butyl 6-chloro-2-ethylpyridine-3-carboxylate
CID 166815331
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
2,6-dichloropyridine-3-carboxamide
CID 22142778
1-(2,6-dichloro-3-pyridinyl)-2,2,2-trifluoroethanone
CID 71301905
2,6-dichloropyridine-3-carboxylic acid;methanol;methyl 2,6-dichloropyridine-3-carboxylate;thionyl dichloride
CID 160688550
3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
CID 106994631
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
2,6-dichloro-3-(1-methoxyethenyl)pyridine
CID 87903575
(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
CID 58565891
ethyl 2-chloro-6-cyclopropylpyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
CID 175912460

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate?
The IUPAC name of 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate (CID 143641342) is 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate?
The canonical SMILES for 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate is CC(C)(O)OC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate?
The InChIKey is WRWVTSGVMVGJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-9(2,14)15-8(13)5-3-4-6(10)12-7(5)11/h3-4,14H,1-2H3.
What are the key properties of 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate?
2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate has a molecular weight of 250.08 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 143641342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).