6-pyridin-3-yl-2,3-dihydrochromen-4-one

C14H11NO2 — CID 125180520

IUPAC6-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C14H11NO2/c16-13-5-7-17-14-4-3-10(8-12(13)14)11-2-1-6-15-9-11/h1-4,6,8-9H,5,7H2
InChIKeyWSFAZNSVWIJWEW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.71
Rot. Bonds1

About 6-pyridin-3-yl-2,3-dihydrochromen-4-one

6-pyridin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 125180520) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-pyridin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-pyridin-3-yl-2,3-dihydrochromen-4-one
PubChem CID125180520
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name6-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C14H11NO2/c16-13-5-7-17-14-4-3-10(8-12(13)14)11-2-1-6-15-9-11/h1-4,6,8-9H,5,7H2
InChIKeyWSFAZNSVWIJWEW-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18407230
4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
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6-iodo-2,3-dihydrochromen-4-one
CID 3580262
7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
CID 72846544
6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one
CID 174658677
(3aS,10bR)-8-(4-oxo-2,3-dihydrochromen-6-yl)-2,3,3a,4,5,10b-hexahydro-1H-pyrrolo[3,4-d][2]benzazepin-6-one
CID 67167710
2,4-dipyridin-3-ylaniline
CID 46316358
7-[3-(trifluoromethoxy)phenyl]-2,3-dihydrochromen-4-one
CID 169422666
6-hydroxysulfanyl-2,3-dihydrochromen-4-one
CID 57099381
6-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,3-dihydrochromen-4-one
CID 177380745
N-[2-[[(4S)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide
CID 125180469
N-[2-[[(4R)-6-pyridin-3-yl-3,4-dihydro-2H-chromen-4-yl]amino]ethyl]acetamide
CID 125180470

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-pyridin-3-yl-2,3-dihydrochromen-4-one (CID 125180520) is 6-pyridin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-pyridin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-pyridin-3-yl-2,3-dihydrochromen-4-one is O=C1CCOc2ccc(-c3cccnc3)cc21.
What is the InChIKey of 6-pyridin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is WSFAZNSVWIJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-13-5-7-17-14-4-3-10(8-12(13)14)11-2-1-6-15-9-11/h1-4,6,8-9H,5,7H2.
What are the key properties of 6-pyridin-3-yl-2,3-dihydrochromen-4-one?
6-pyridin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 225.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 125180520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).