[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate

C16H12ClNO5 — CID 67695537

IUPAC[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate
SMILESCOC(=O)Oc1c(C)nc2c(c1-c1ccc(Cl)cc1)COC2=O
InChIInChI=1S/C16H12ClNO5/c1-8-14(23-16(20)21-2)12(9-3-5-10(17)6-4-9)11-7-22-15(19)13(11)18-8/h3-6H,7H2,1-2H3
InChIKeyFQEYNYDIRCWWSH-UHFFFAOYSA-N
MW333.73 g/mol
LogP3.53
Rot. Bonds2

About [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate

[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate (PubChem CID 67695537) has the molecular formula C16H12ClNO5 and a molecular weight of 333.73 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate
PubChem CID67695537
Molecular FormulaC16H12ClNO5
Molecular Weight333.73 g/mol
Exact Mass333.04
IUPAC Name[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate
SMILESCOC(=O)Oc1c(C)nc2c(c1-c1ccc(Cl)cc1)COC2=O
InChIInChI=1S/C16H12ClNO5/c1-8-14(23-16(20)21-2)12(9-3-5-10(17)6-4-9)11-7-22-15(19)13(11)18-8/h3-6H,7H2,1-2H3
InChIKeyFQEYNYDIRCWWSH-UHFFFAOYSA-N
XLogP3.53
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylate
CID 21255233
4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridine-3-carboxylic acid
CID 70241521
4-(4-chlorophenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylic acid
CID 151544448
6-chloro-4-(4-chlorophenyl)-3H-benzo[f][2]benzofuran-1-one
CID 18325133
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 14057718
2-[4-(4-chlorophenyl)-6-(1-ethylbenzimidazol-2-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 75282500
4-chloro-9,11-dimethyl-15-oxa-8,12-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaen-16-one
CID 11833456
4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529990
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
[5-(2-hydroxyethoxycarbonyloxy)-4-(2-methoxyphenyl)-2,6-dimethyl-3-pyridinyl] methyl carbonate
CID 70473809
6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 632567

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate?
The IUPAC name of [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate (CID 67695537) is [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate.
What is the SMILES notation for [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate?
The canonical SMILES for [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate is COC(=O)Oc1c(C)nc2c(c1-c1ccc(Cl)cc1)COC2=O.
What is the InChIKey of [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate?
The InChIKey is FQEYNYDIRCWWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO5/c1-8-14(23-16(20)21-2)12(9-3-5-10(17)6-4-9)11-7-22-15(19)13(11)18-8/h3-6H,7H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate?
[4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate has a molecular weight of 333.73 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-methyl-7-oxo-5H-furo[3,4-b]pyridin-3-yl] methyl carbonate is sourced from PubChem (CID 67695537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).