2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine

C17H14N2 — CID 114939428

IUPAC2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine
SMILESNc1cccnc1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H14N2/c18-15-5-2-10-19-17(15)14-9-8-12-7-6-11-3-1-4-13(14)16(11)12/h1-5,8-10H,6-7,18H2
InChIKeyWTSFGUPEOKRVTC-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.58
Rot. Bonds1

About 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine

2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine (PubChem CID 114939428) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine
PubChem CID114939428
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine
SMILESNc1cccnc1-c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H14N2/c18-15-5-2-10-19-17(15)14-9-8-12-7-6-11-3-1-4-13(14)16(11)12/h1-5,8-10H,6-7,18H2
InChIKeyWTSFGUPEOKRVTC-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine (CID 114939428) is 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine is Nc1cccnc1-c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine?
The InChIKey is WTSFGUPEOKRVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c18-15-5-2-10-19-17(15)14-9-8-12-7-6-11-3-1-4-13(14)16(11)12/h1-5,8-10H,6-7,18H2.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine?
2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine has a molecular weight of 246.31 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yl)pyridin-3-amine is sourced from PubChem (CID 114939428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).