3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one

C8H6ClNO2 — CID 141123599

IUPAC3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESO=C1OC(Cl)Cc2ccncc21
InChIInChI=1S/C8H6ClNO2/c9-7-3-5-1-2-10-4-6(5)8(11)12-7/h1-2,4,7H,3H2
InChIKeyUAOALWBSCMVMPD-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.36
Rot. Bonds

About 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one

3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 141123599) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one
PubChem CID141123599
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESO=C1OC(Cl)Cc2ccncc21
InChIInChI=1S/C8H6ClNO2/c9-7-3-5-1-2-10-4-6(5)8(11)12-7/h1-2,4,7H,3H2
InChIKeyUAOALWBSCMVMPD-UHFFFAOYSA-N
XLogP1.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 59252733
(6R)-6-(2-methoxyethyl)-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 93476507
6-bromo-6,7-dihydrocyclopenta[c]pyridin-5-one
CID 58717473
(3S)-3-(chloromethyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 134953032
(3S)-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one
CID 35858470
3-(hydroxymethyl)-3,4-dihydroisochromen-1-one
CID 85204025
3-bromoprop-1-ene;5,6-dihydrocyclopenta[c]pyridin-7-one;6-prop-2-enyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 159647665
3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 68972684
2-ethyl-2,3-dihydrofuro[2,3-c]pyridine
CID 148742170
3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
CID 11586733
furo[3,2-c]pyridin-3-one;hydrochloride
CID 57367134
6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The IUPAC name of 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one (CID 141123599) is 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one is O=C1OC(Cl)Cc2ccncc21.
What is the InChIKey of 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The InChIKey is UAOALWBSCMVMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-7-3-5-1-2-10-4-6(5)8(11)12-7/h1-2,4,7H,3H2.
What are the key properties of 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one?
3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one has a molecular weight of 183.59 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3,4-dihydropyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 141123599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).