7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C14H8ClNO4 — CID 3780301

IUPAC7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C14H8ClNO4/c1-6-8(14(18)19)5-10-12(17)9-4-7(15)2-3-11(9)20-13(10)16-6/h2-5H,1H3,(H,18,19)
InChIKeyKCLDKWDFEUHNBK-UHFFFAOYSA-N
MW289.67 g/mol
LogP3.00
Rot. Bonds1

About 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 3780301) has the molecular formula C14H8ClNO4 and a molecular weight of 289.67 g/mol. Its IUPAC name is 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID3780301
Molecular FormulaC14H8ClNO4
Molecular Weight289.67 g/mol
Exact Mass289.01
IUPAC Name7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C14H8ClNO4/c1-6-8(14(18)19)5-10-12(17)9-4-7(15)2-3-11(9)20-13(10)16-6/h2-5H,1H3,(H,18,19)
InChIKeyKCLDKWDFEUHNBK-UHFFFAOYSA-N
XLogP3.00
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 7747297
methyl 7-chloro-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 3797554
azanium 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
CID 101282936
2,3-dibenzoyl-7-chloroxanthen-9-one
CID 10646706
dimethyl 7-chloro-9-oxoxanthene-2,3-dicarboxylate
CID 10688963
3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one
CID 24975652
8-chloro-2-(methoxyamino)-10-oxochromeno[3,2-b]pyridine-3-carboxylic acid
CID 20561041
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 1475298
3-acetyl-2-amino-7-methylchromeno[2,3-b]pyridin-5-one
CID 160866226
8-chloro-4,10-dioxo-1H-chromeno[3,2-b]pyridine-3-carboxylic acid
CID 12736925
7-cyclopentyl-2-ethyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
CID 157459588
2-amino-3-(4-chlorophenyl)-7-methylchromeno[2,3-b]pyridin-5-one
CID 725098

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 3780301) is 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is KCLDKWDFEUHNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO4/c1-6-8(14(18)19)5-10-12(17)9-4-7(15)2-3-11(9)20-13(10)16-6/h2-5H,1H3,(H,18,19).
What are the key properties of 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 289.67 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 3780301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).