tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate

C19H20ClNO4 — CID 130182784

IUPACtert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2oc(-c3ccc(Cl)cc3)cc(=O)c2C1
InChIInChI=1S/C19H20ClNO4/c1-19(2,3)25-18(23)21-9-8-16-14(11-21)15(22)10-17(24-16)12-4-6-13(20)7-5-12/h4-7,10H,8-9,11H2,1-3H3
InChIKeyDKYXWMMFIVCEGK-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.25
Rot. Bonds1

About tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate

tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate (PubChem CID 130182784) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
PubChem CID130182784
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Nametert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2oc(-c3ccc(Cl)cc3)cc(=O)c2C1
InChIInChI=1S/C19H20ClNO4/c1-19(2,3)25-18(23)21-9-8-16-14(11-21)15(22)10-17(24-16)12-4-6-13(20)7-5-12/h4-7,10H,8-9,11H2,1-3H3
InChIKeyDKYXWMMFIVCEGK-UHFFFAOYSA-N
XLogP4.25
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate with MolForge

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Related Compounds

1,3-[3H]-Oxazine-2,6-dione, 3-methyl-6-(4-chlorophenyl)-
CID 587443
benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 14182270
benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 14182271
Ethyl 3-(2,4-dichlorophenyl)-3-(diethylcarbamoyloxy)-2-(dimethylcarbamoyl)prop-2-enoate
CID 53911045
Tert-butyl 4-[1-(4-chlorophenyl)prop-1-enoxy]piperidine-1-carboxylate
CID 69481035
6-(4-chlorophenyl)-2-cyclohexa-1,3-dien-1-yl-N-methyl-4-oxopyran-3-carboxamide
CID 88797740
tert-butyl 8-butyl-2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
CID 130182873
tert-butyl 8-butyl-2-[4-(iodomethyl)phenyl]-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate
CID 130182979
8-Butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one
CID 145024773
8-butyl-2-(4-chlorophenyl)-6-methyl-4-methylidene-7,8-dihydro-5H-pyrano[3,2-c]pyridine
CID 145024993
4-chlorobenzyl 8-ethoxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
CID 53179871
Tert-butyl 4-[(4-chlorophenyl)methoxy]-4-methylpiperidine-1-carboxylate
CID 103915969

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate (CID 130182784) is tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2oc(-c3ccc(Cl)cc3)cc(=O)c2C1.
What is the InChIKey of tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate?
The InChIKey is DKYXWMMFIVCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-19(2,3)25-18(23)21-9-8-16-14(11-21)15(22)10-17(24-16)12-4-6-13(20)7-5-12/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate?
tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-chlorophenyl)-4-oxo-7,8-dihydro-5H-pyrano[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 130182784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).