2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine

C10H12ClNO2 — CID 138524012

IUPAC2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine
SMILESCc1cc(C2OCCO2)c(Cl)nc1C
InChIInChI=1S/C10H12ClNO2/c1-6-5-8(9(11)12-7(6)2)10-13-3-4-14-10/h5,10H,3-4H2,1-2H3
InChIKeyNMFNDJGDWLVLPN-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.40
Rot. Bonds1

About 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine

2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine (PubChem CID 138524012) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine.

Molecular Properties

Compound Name2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine
PubChem CID138524012
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine
SMILESCc1cc(C2OCCO2)c(Cl)nc1C
InChIInChI=1S/C10H12ClNO2/c1-6-5-8(9(11)12-7(6)2)10-13-3-4-14-10/h5,10H,3-4H2,1-2H3
InChIKeyNMFNDJGDWLVLPN-UHFFFAOYSA-N
XLogP2.40
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine 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

5-(1,3-dioxolan-2-yl)-2,3-dimethyl-6-(3-methylbutyl)pyridine
CID 175922079
2,4,6-trichloro-5-(1,3-dioxolan-2-yl)pyrimidine
CID 58075387
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
3-(1,3-dioxolan-2-yl)-2,6-difluoro-5-methylbenzonitrile
CID 156654737
2-(2-bromo-5-methoxy-4-methylphenyl)-1,3-dioxolane
CID 11086922
2-(1,3-dioxolan-2-yl)-3,5-dimethyl-1H-pyrrole
CID 55256103
carbon monoxide;2-(2-chloro-3,5-dimethoxyphenyl)-1,3-dioxolane;chromium
CID 11485819
2-[[4-(1,3-dioxolan-2-yl)-2,5-dimethylphenyl]methylamino]spiro[2.3]hexan-5-ol
CID 146104660
2,4,6-trichloro-3-(1,3-dioxan-2-yl)pyridine
CID 168877264
2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
CID 122548411
2-(2-ethyl-4-methylphenyl)-1,3-dioxolane
CID 123214481
N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine?
The IUPAC name of 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine (CID 138524012) is 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine.
What is the SMILES notation for 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine?
The canonical SMILES for 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine is Cc1cc(C2OCCO2)c(Cl)nc1C.
What is the InChIKey of 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine?
The InChIKey is NMFNDJGDWLVLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-5-8(9(11)12-7(6)2)10-13-3-4-14-10/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine?
2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine has a molecular weight of 213.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1,3-dioxolan-2-yl)-5,6-dimethylpyridine is sourced from PubChem (CID 138524012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).