(213C)1,4-dihydropyridine

C5H7N — CID 57243157

IUPAC(213C)1,4-dihydropyridine
SMILESC1=CN[13CH]=CC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2/i4+1
InChIKeyYNGDWRXWKFWCJY-AZXPZELESA-N
MW82.11 g/mol
LogP1.01
Rot. Bonds

About (213C)1,4-dihydropyridine

(213C)1,4-dihydropyridine (PubChem CID 57243157) has the molecular formula C5H7N and a molecular weight of 82.11 g/mol. Its IUPAC name is (213C)1,4-dihydropyridine.

Molecular Properties

Compound Name(213C)1,4-dihydropyridine
PubChem CID57243157
Molecular FormulaC5H7N
Molecular Weight82.11 g/mol
Exact Mass82.06
IUPAC Name(213C)1,4-dihydropyridine
SMILESC1=CN[13CH]=CC1
InChIInChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2/i4+1
InChIKeyYNGDWRXWKFWCJY-AZXPZELESA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (213C)1,4-dihydropyridine?
The IUPAC name of (213C)1,4-dihydropyridine (CID 57243157) is (213C)1,4-dihydropyridine.
What is the SMILES notation for (213C)1,4-dihydropyridine?
The canonical SMILES for (213C)1,4-dihydropyridine is C1=CN[13CH]=CC1.
What is the InChIKey of (213C)1,4-dihydropyridine?
The InChIKey is YNGDWRXWKFWCJY-AZXPZELESA-N. The full InChI is InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2/i4+1.
What are the key properties of (213C)1,4-dihydropyridine?
(213C)1,4-dihydropyridine has a molecular weight of 82.11 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (213C)1,4-dihydropyridine is sourced from PubChem (CID 57243157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).