4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one

C8H6ClNO2 — CID 19902852

IUPAC4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one
SMILESCC1OC(=O)c2c(Cl)ccnc21
InChIInChI=1S/C8H6ClNO2/c1-4-7-6(8(11)12-4)5(9)2-3-10-7/h2-4H,1H3
InChIKeyCTLFXCKOUKJXAM-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.97
Rot. Bonds

About 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one

4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one (PubChem CID 19902852) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one
PubChem CID19902852
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one
SMILESCC1OC(=O)c2c(Cl)ccnc21
InChIInChI=1S/C8H6ClNO2/c1-4-7-6(8(11)12-4)5(9)2-3-10-7/h2-4H,1H3
InChIKeyCTLFXCKOUKJXAM-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one (CID 19902852) is 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one is CC1OC(=O)c2c(Cl)ccnc21.
What is the InChIKey of 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is CTLFXCKOUKJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c1-4-7-6(8(11)12-4)5(9)2-3-10-7/h2-4H,1H3.
What are the key properties of 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one?
4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 183.59 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 19902852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).