2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine

C9H9Cl2NO — CID 130696125

IUPAC2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine
SMILESC=C(Cl)COc1ccc(C)nc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(10)5-13-8-4-3-7(2)12-9(8)11/h3-4H,1,5H2,2H3
InChIKeyFAMHYNGSSLDSLW-UHFFFAOYSA-N
MW218.08 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine

2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine (PubChem CID 130696125) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine
PubChem CID130696125
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine
SMILESC=C(Cl)COc1ccc(C)nc1Cl
InChIInChI=1S/C9H9Cl2NO/c1-6(10)5-13-8-4-3-7(2)12-9(8)11/h3-4H,1,5H2,2H3
InChIKeyFAMHYNGSSLDSLW-UHFFFAOYSA-N
XLogP3.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-methyl-3-pyridinyl)oxy]ethanol
CID 130686147
2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine
CID 137371492
3-(2-chloroprop-2-enoxy)-2-methylphenol
CID 43143314
1-[2-(2-chloroprop-2-enoxy)-5-methylphenyl]ethanol
CID 43505392
1-[2-(2-chloroprop-2-enoxy)-4-fluorophenyl]ethanone
CID 63067319
2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid
CID 91618796
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79168660
2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride
CID 87764222
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methylpyridin-2-amine
CID 106436603
1,4-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 13005616
(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine?
The IUPAC name of 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine (CID 130696125) is 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine.
What is the SMILES notation for 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine?
The canonical SMILES for 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine is C=C(Cl)COc1ccc(C)nc1Cl.
What is the InChIKey of 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine?
The InChIKey is FAMHYNGSSLDSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(10)5-13-8-4-3-7(2)12-9(8)11/h3-4H,1,5H2,2H3.
What are the key properties of 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine?
2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine has a molecular weight of 218.08 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloroprop-2-enoxy)-6-methylpyridine is sourced from PubChem (CID 130696125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).