methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate

C16H13NO5 — CID 1475272

IUPACmethyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCOCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C16H13NO5/c1-20-8-12-10(16(19)21-2)7-11-14(18)9-5-3-4-6-13(9)22-15(11)17-12/h3-7H,8H2,1-2H3
InChIKeyUENANUSSLJFSAR-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.27
Rot. Bonds3

About methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate

methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate (PubChem CID 1475272) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
PubChem CID1475272
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Namemethyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
SMILESCOCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC
InChIInChI=1S/C16H13NO5/c1-20-8-12-10(16(19)21-2)7-11-14(18)9-5-3-4-6-13(9)22-15(11)17-12/h3-7H,8H2,1-2H3
InChIKeyUENANUSSLJFSAR-UHFFFAOYSA-N
XLogP2.27
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methyl 7-chloro-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 3797554
2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70514076
2-(3-methoxycarbonyl-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70513059
ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 161065299
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 1475298
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 4914849
ethyl 2-[2-(3,5-dichloroanilino)ethenyl]-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 2764657
15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one
CID 11449359
N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide
CID 58035616
2-(3-ethoxycarbonyl-7-ethyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70514893
methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
CID 102039945
benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747356

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate (CID 1475272) is methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate is COCc1nc2oc3ccccc3c(=O)c2cc1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
The InChIKey is UENANUSSLJFSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-20-8-12-10(16(19)21-2)7-11-14(18)9-5-3-4-6-13(9)22-15(11)17-12/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate?
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 1475272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).