2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid

C17H13NO7 — CID 70514076

IUPAC2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
SMILESCOC(=O)c1cc2c(=O)c3cc(OC)ccc3oc2nc1CC(=O)O
InChIInChI=1S/C17H13NO7/c1-23-8-3-4-13-10(5-8)15(21)11-6-9(17(22)24-2)12(7-14(19)20)18-16(11)25-13/h3-6H,7H2,1-2H3,(H,19,20)
InChIKeyGGNWOYFWJXTFSY-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.76
Rot. Bonds4

About 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid

2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid (PubChem CID 70514076) has the molecular formula C17H13NO7 and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
PubChem CID70514076
Molecular FormulaC17H13NO7
Molecular Weight343.29 g/mol
Exact Mass343.07
IUPAC Name2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
SMILESCOC(=O)c1cc2c(=O)c3cc(OC)ccc3oc2nc1CC(=O)O
InChIInChI=1S/C17H13NO7/c1-23-8-3-4-13-10(5-8)15(21)11-6-9(17(22)24-2)12(7-14(19)20)18-16(11)25-13/h3-6H,7H2,1-2H3,(H,19,20)
InChIKeyGGNWOYFWJXTFSY-UHFFFAOYSA-N
XLogP1.76
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxycarbonyl-7-ethyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid
CID 70514893
methyl 7-chloro-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 3797554
disodium;2-(carboxylatomethyl)-7-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 13335329
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 157459588
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate
CID 118896349
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
dimethyl 7-chloro-9-oxoxanthene-2,3-dicarboxylate
CID 10688963
ethyl 2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12540577
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
methyl 7-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 12689284
benzyl 7-ethyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747356

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid (CID 70514076) is 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid is COC(=O)c1cc2c(=O)c3cc(OC)ccc3oc2nc1CC(=O)O.
What is the InChIKey of 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid?
The InChIKey is GGNWOYFWJXTFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO7/c1-23-8-3-4-13-10(5-8)15(21)11-6-9(17(22)24-2)12(7-14(19)20)18-16(11)25-13/h3-6H,7H2,1-2H3,(H,19,20).
What are the key properties of 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid?
2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid has a molecular weight of 343.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3-methoxycarbonyl-5-oxochromeno[2,3-b]pyridin-2-yl)acetic acid is sourced from PubChem (CID 70514076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).