2-chloro-5-methyl-3-prop-2-enylpyridine

C9H10ClN — CID 46318113

IUPAC2-chloro-5-methyl-3-prop-2-enylpyridine
SMILESC=CCc1cc(C)cnc1Cl
InChIInChI=1S/C9H10ClN/c1-3-4-8-5-7(2)6-11-9(8)10/h3,5-6H,1,4H2,2H3
InChIKeyHGOYMTJUNQBUOW-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.77
Rot. Bonds2

About 2-chloro-5-methyl-3-prop-2-enylpyridine

2-chloro-5-methyl-3-prop-2-enylpyridine (PubChem CID 46318113) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-prop-2-enylpyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-3-prop-2-enylpyridine
PubChem CID46318113
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name2-chloro-5-methyl-3-prop-2-enylpyridine
SMILESC=CCc1cc(C)cnc1Cl
InChIInChI=1S/C9H10ClN/c1-3-4-8-5-7(2)6-11-9(8)10/h3,5-6H,1,4H2,2H3
InChIKeyHGOYMTJUNQBUOW-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-3-prop-2-enylpyridine?
The IUPAC name of 2-chloro-5-methyl-3-prop-2-enylpyridine (CID 46318113) is 2-chloro-5-methyl-3-prop-2-enylpyridine.
What is the SMILES notation for 2-chloro-5-methyl-3-prop-2-enylpyridine?
The canonical SMILES for 2-chloro-5-methyl-3-prop-2-enylpyridine is C=CCc1cc(C)cnc1Cl.
What is the InChIKey of 2-chloro-5-methyl-3-prop-2-enylpyridine?
The InChIKey is HGOYMTJUNQBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-3-4-8-5-7(2)6-11-9(8)10/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-chloro-5-methyl-3-prop-2-enylpyridine?
2-chloro-5-methyl-3-prop-2-enylpyridine has a molecular weight of 167.64 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-prop-2-enylpyridine is sourced from PubChem (CID 46318113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).