6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid

C18H12FN3O3 — CID 18780532

IUPAC6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid
SMILESCn1c2ccc(F)cc2c2c(C(=O)O)cn(-c3ccccn3)c(=O)c21
InChIInChI=1S/C18H12FN3O3/c1-21-13-6-5-10(19)8-11(13)15-12(18(24)25)9-22(17(23)16(15)21)14-4-2-3-7-20-14/h2-9H,1H3,(H,24,25)
InChIKeyMTGNOMPUVDRBBK-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.71
Rot. Bonds2

About 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid

6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid (PubChem CID 18780532) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid
PubChem CID18780532
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid
SMILESCn1c2ccc(F)cc2c2c(C(=O)O)cn(-c3ccccn3)c(=O)c21
InChIInChI=1S/C18H12FN3O3/c1-21-13-6-5-10(19)8-11(13)15-12(18(24)25)9-22(17(23)16(15)21)14-4-2-3-7-20-14/h2-9H,1H3,(H,24,25)
InChIKeyMTGNOMPUVDRBBK-UHFFFAOYSA-N
XLogP2.71
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid?
The IUPAC name of 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid (CID 18780532) is 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid is Cn1c2ccc(F)cc2c2c(C(=O)O)cn(-c3ccccn3)c(=O)c21.
What is the InChIKey of 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid?
The InChIKey is MTGNOMPUVDRBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c1-21-13-6-5-10(19)8-11(13)15-12(18(24)25)9-22(17(23)16(15)21)14-4-2-3-7-20-14/h2-9H,1H3,(H,24,25).
What are the key properties of 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid?
6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid has a molecular weight of 337.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-methyl-1-oxo-2-pyridin-2-ylpyrido[3,4-b]indole-4-carboxylic acid is sourced from PubChem (CID 18780532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).