methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate

C19H19NO5 — CID 57242305

IUPACmethyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccc(O)cc1=O)=C(C)C(C)(C)O2
InChIInChI=1S/C19H19NO5/c1-11-17(20-8-7-13(21)10-16(20)22)14-9-12(18(23)24-4)5-6-15(14)25-19(11,2)3/h5-10,21H,1-4H3
InChIKeyNGYZOHSACAJBCZ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.79
Rot. Bonds2

About methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate

methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate (PubChem CID 57242305) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate
PubChem CID57242305
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1ccc(O)cc1=O)=C(C)C(C)(C)O2
InChIInChI=1S/C19H19NO5/c1-11-17(20-8-7-13(21)10-16(20)22)14-9-12(18(23)24-4)5-6-15(14)25-19(11,2)3/h5-10,21H,1-4H3
InChIKeyNGYZOHSACAJBCZ-UHFFFAOYSA-N
XLogP2.79
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
CID 22122789
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14518004
methyl 4-hydroxyimino-2,2-dimethyl-3H-chromene-6-carboxylate
CID 142688065
4-(5-chloro-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carbonitrile
CID 22123092
methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
CID 91406390
methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate
CID 14511159
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
methyl 4-oxospiro[3H-chromene-2,1'-cyclopentane]-6-carboxylate
CID 58407044
1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one
CID 19888514
3-nitro-1-(2,2,3-trimethyl-6-nitrochromen-4-yl)pyridin-2-one
CID 22122698
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate?
The IUPAC name of methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate (CID 57242305) is methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate.
What is the SMILES notation for methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate?
The canonical SMILES for methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(n1ccc(O)cc1=O)=C(C)C(C)(C)O2.
What is the InChIKey of methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate?
The InChIKey is NGYZOHSACAJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-11-17(20-8-7-13(21)10-16(20)22)14-9-12(18(23)24-4)5-6-15(14)25-19(11,2)3/h5-10,21H,1-4H3.
What are the key properties of methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate?
methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate is sourced from PubChem (CID 57242305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).