7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C9H8N2O — CID 66815583

IUPAC7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cnc2c(c1)COCC2
InChIInChI=1S/C9H8N2O/c10-4-7-3-8-6-12-2-1-9(8)11-5-7/h3,5H,1-2,6H2
InChIKeyJCPKQRRXIHMKFT-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.03
Rot. Bonds

About 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 66815583) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID66815583
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cnc2c(c1)COCC2
InChIInChI=1S/C9H8N2O/c10-4-7-3-8-6-12-2-1-9(8)11-5-7/h3,5H,1-2,6H2
InChIKeyJCPKQRRXIHMKFT-UHFFFAOYSA-N
XLogP1.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
CID 164584215
7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-sulfonyl chloride
CID 55279593
(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 177054072
7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
CID 62784228
4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide
CID 154801089
3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 119084030
2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
5-[[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]amino]pyrazine-2-carbonitrile
CID 126936138
7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile
CID 82598786
7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carbaldehyde
CID 59271931
2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126887406
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126892414

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 66815583) is 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1cnc2c(c1)COCC2.
What is the InChIKey of 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is JCPKQRRXIHMKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-4-7-3-8-6-12-2-1-9(8)11-5-7/h3,5H,1-2,6H2.
What are the key properties of 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 66815583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).