4-chloro-2-methyl-1,2-dihydropyridine

C6H8ClN — CID 19600403

IUPAC4-chloro-2-methyl-1,2-dihydropyridine
SMILESCC1C=C(Cl)C=CN1
InChIInChI=1S/C6H8ClN/c1-5-4-6(7)2-3-8-5/h2-5,8H,1H3
InChIKeyAKPAPRCXGPBSGJ-UHFFFAOYSA-N
MW129.59 g/mol
LogP1.61
Rot. Bonds

About 4-chloro-2-methyl-1,2-dihydropyridine

4-chloro-2-methyl-1,2-dihydropyridine (PubChem CID 19600403) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 4-chloro-2-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-chloro-2-methyl-1,2-dihydropyridine
PubChem CID19600403
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name4-chloro-2-methyl-1,2-dihydropyridine
SMILESCC1C=C(Cl)C=CN1
InChIInChI=1S/C6H8ClN/c1-5-4-6(7)2-3-8-5/h2-5,8H,1H3
InChIKeyAKPAPRCXGPBSGJ-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1,2-dihydropyridine?
The IUPAC name of 4-chloro-2-methyl-1,2-dihydropyridine (CID 19600403) is 4-chloro-2-methyl-1,2-dihydropyridine.
What is the SMILES notation for 4-chloro-2-methyl-1,2-dihydropyridine?
The canonical SMILES for 4-chloro-2-methyl-1,2-dihydropyridine is CC1C=C(Cl)C=CN1.
What is the InChIKey of 4-chloro-2-methyl-1,2-dihydropyridine?
The InChIKey is AKPAPRCXGPBSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-4-6(7)2-3-8-5/h2-5,8H,1H3.
What are the key properties of 4-chloro-2-methyl-1,2-dihydropyridine?
4-chloro-2-methyl-1,2-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1,2-dihydropyridine is sourced from PubChem (CID 19600403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).