3-chloro-1,5-dimethyl-2-methylidenepyridine

C8H10ClN — CID 161096937

IUPAC3-chloro-1,5-dimethyl-2-methylidenepyridine
SMILESC=C1C(Cl)=CC(C)=CN1C
InChIInChI=1S/C8H10ClN/c1-6-4-8(9)7(2)10(3)5-6/h4-5H,2H2,1,3H3
InChIKeyBWFKNPWHAGJTCT-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.47
Rot. Bonds

About 3-chloro-1,5-dimethyl-2-methylidenepyridine

3-chloro-1,5-dimethyl-2-methylidenepyridine (PubChem CID 161096937) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 3-chloro-1,5-dimethyl-2-methylidenepyridine.

Molecular Properties

Compound Name3-chloro-1,5-dimethyl-2-methylidenepyridine
PubChem CID161096937
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name3-chloro-1,5-dimethyl-2-methylidenepyridine
SMILESC=C1C(Cl)=CC(C)=CN1C
InChIInChI=1S/C8H10ClN/c1-6-4-8(9)7(2)10(3)5-6/h4-5H,2H2,1,3H3
InChIKeyBWFKNPWHAGJTCT-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,5-dimethyl-2-methylidenepyridine?
The IUPAC name of 3-chloro-1,5-dimethyl-2-methylidenepyridine (CID 161096937) is 3-chloro-1,5-dimethyl-2-methylidenepyridine.
What is the SMILES notation for 3-chloro-1,5-dimethyl-2-methylidenepyridine?
The canonical SMILES for 3-chloro-1,5-dimethyl-2-methylidenepyridine is C=C1C(Cl)=CC(C)=CN1C.
What is the InChIKey of 3-chloro-1,5-dimethyl-2-methylidenepyridine?
The InChIKey is BWFKNPWHAGJTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-4-8(9)7(2)10(3)5-6/h4-5H,2H2,1,3H3.
What are the key properties of 3-chloro-1,5-dimethyl-2-methylidenepyridine?
3-chloro-1,5-dimethyl-2-methylidenepyridine has a molecular weight of 155.63 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,5-dimethyl-2-methylidenepyridine is sourced from PubChem (CID 161096937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).