8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

C17H16F2N2O2 — CID 130422360

IUPAC8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESNC1COCc2c(-c3ccc4c(c3)COCC4(F)F)cncc21
InChIInChI=1S/C17H16F2N2O2/c18-17(19)9-23-6-11-3-10(1-2-15(11)17)12-4-21-5-13-14(12)7-22-8-16(13)20/h1-5,16H,6-9,20H2
InChIKeyJNEYIVWDZVNKQH-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.90
Rot. Bonds1

About 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (PubChem CID 130422360) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
PubChem CID130422360
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESNC1COCc2c(-c3ccc4c(c3)COCC4(F)F)cncc21
InChIInChI=1S/C17H16F2N2O2/c18-17(19)9-23-6-11-3-10(1-2-15(11)17)12-4-21-5-13-14(12)7-22-8-16(13)20/h1-5,16H,6-9,20H2
InChIKeyJNEYIVWDZVNKQH-UHFFFAOYSA-N
XLogP2.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The IUPAC name of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (CID 130422360) is 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.
What is the SMILES notation for 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The canonical SMILES for 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is NC1COCc2c(-c3ccc4c(c3)COCC4(F)F)cncc21.
What is the InChIKey of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The InChIKey is JNEYIVWDZVNKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-17(19)9-23-6-11-3-10(1-2-15(11)17)12-4-21-5-13-14(12)7-22-8-16(13)20/h1-5,16H,6-9,20H2.
What are the key properties of 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine has a molecular weight of 318.32 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluoro-1,3-dihydroisochromen-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is sourced from PubChem (CID 130422360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).