4-(3,4-dihydro-2H-chromen-8-yl)pyridine

C14H13NO — CID 165409197

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)pyridine
SMILESc1cc2c(c(-c3ccncc3)c1)OCCC2
InChIInChI=1S/C14H13NO/c1-3-12-4-2-10-16-14(12)13(5-1)11-6-8-15-9-7-11/h1,3,5-9H,2,4,10H2
InChIKeyPVRNWTOGZIFKFS-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.07
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-8-yl)pyridine

4-(3,4-dihydro-2H-chromen-8-yl)pyridine (PubChem CID 165409197) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)pyridine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)pyridine
PubChem CID165409197
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)pyridine
SMILESc1cc2c(c(-c3ccncc3)c1)OCCC2
InChIInChI=1S/C14H13NO/c1-3-12-4-2-10-16-14(12)13(5-1)11-6-8-15-9-7-11/h1,3,5-9H,2,4,10H2
InChIKeyPVRNWTOGZIFKFS-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)pyridine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)pyridine (CID 165409197) is 4-(3,4-dihydro-2H-chromen-8-yl)pyridine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)pyridine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)pyridine is c1cc2c(c(-c3ccncc3)c1)OCCC2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)pyridine?
The InChIKey is PVRNWTOGZIFKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-3-12-4-2-10-16-14(12)13(5-1)11-6-8-15-9-7-11/h1,3,5-9H,2,4,10H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)pyridine?
4-(3,4-dihydro-2H-chromen-8-yl)pyridine has a molecular weight of 211.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)pyridine is sourced from PubChem (CID 165409197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).