10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

C14H10ClNO3S — CID 12677803

IUPAC10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)c2c1SCc1c-2[nH]c(C(=O)O)cc1=O
InChIInChI=1S/C14H10ClNO3S/c1-6-2-3-8(15)11-12-7(5-20-13(6)11)10(17)4-9(16-12)14(18)19/h2-4H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBNHBXYDHFDHJTA-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.31
Rot. Bonds1

About 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid

10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (PubChem CID 12677803) has the molecular formula C14H10ClNO3S and a molecular weight of 307.76 g/mol. Its IUPAC name is 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
PubChem CID12677803
Molecular FormulaC14H10ClNO3S
Molecular Weight307.76 g/mol
Exact Mass307.01
IUPAC Name10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)c2c1SCc1c-2[nH]c(C(=O)O)cc1=O
InChIInChI=1S/C14H10ClNO3S/c1-6-2-3-8(15)11-12-7(5-20-13(6)11)10(17)4-9(16-12)14(18)19/h2-4H,5H2,1H3,(H,16,17)(H,18,19)
InChIKeyBNHBXYDHFDHJTA-UHFFFAOYSA-N
XLogP3.31
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid (CID 12677803) is 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is Cc1ccc(Cl)c2c1SCc1c-2[nH]c(C(=O)O)cc1=O.
What is the InChIKey of 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
The InChIKey is BNHBXYDHFDHJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3S/c1-6-2-3-8(15)11-12-7(5-20-13(6)11)10(17)4-9(16-12)14(18)19/h2-4H,5H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid?
10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid has a molecular weight of 307.76 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-7-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 12677803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).