1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine

C22H21NO — CID 174778237

IUPAC1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CCOC=C2)=CCN1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H11NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10H;1-5,7,11H,6,8H2
InChIKeyZWTNNGOXAJWPCV-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.85
Rot. Bonds2

About 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine

1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine (PubChem CID 174778237) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine
PubChem CID174778237
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CCOC=C2)=CCN1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C10H11NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10H;1-5,7,11H,6,8H2
InChIKeyZWTNNGOXAJWPCV-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine?
The IUPAC name of 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine (CID 174778237) is 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine is C1=CC(C2=CCOC=C2)=CCN1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine?
The InChIKey is ZWTNNGOXAJWPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H11NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-10H;1-5,7,11H,6,8H2.
What are the key properties of 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine?
1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine has a molecular weight of 315.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;4-(2H-pyran-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 174778237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).