3-fluoro-4-methylcinnoline-6-carboxylic acid

C10H7FN2O2 — CID 150342725

IUPAC3-fluoro-4-methylcinnoline-6-carboxylic acid
SMILESCc1c(F)nnc2ccc(C(=O)O)cc12
InChIInChI=1S/C10H7FN2O2/c1-5-7-4-6(10(14)15)2-3-8(7)12-13-9(5)11/h2-4H,1H3,(H,14,15)
InChIKeyGSAWDIWAUZDCAR-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.78
Rot. Bonds1

About 3-fluoro-4-methylcinnoline-6-carboxylic acid

3-fluoro-4-methylcinnoline-6-carboxylic acid (PubChem CID 150342725) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 3-fluoro-4-methylcinnoline-6-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-methylcinnoline-6-carboxylic acid
PubChem CID150342725
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name3-fluoro-4-methylcinnoline-6-carboxylic acid
SMILESCc1c(F)nnc2ccc(C(=O)O)cc12
InChIInChI=1S/C10H7FN2O2/c1-5-7-4-6(10(14)15)2-3-8(7)12-13-9(5)11/h2-4H,1H3,(H,14,15)
InChIKeyGSAWDIWAUZDCAR-UHFFFAOYSA-N
XLogP1.78
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylcinnoline-6-carboxylic acid?
The IUPAC name of 3-fluoro-4-methylcinnoline-6-carboxylic acid (CID 150342725) is 3-fluoro-4-methylcinnoline-6-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-methylcinnoline-6-carboxylic acid?
The canonical SMILES for 3-fluoro-4-methylcinnoline-6-carboxylic acid is Cc1c(F)nnc2ccc(C(=O)O)cc12.
What is the InChIKey of 3-fluoro-4-methylcinnoline-6-carboxylic acid?
The InChIKey is GSAWDIWAUZDCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c1-5-7-4-6(10(14)15)2-3-8(7)12-13-9(5)11/h2-4H,1H3,(H,14,15).
What are the key properties of 3-fluoro-4-methylcinnoline-6-carboxylic acid?
3-fluoro-4-methylcinnoline-6-carboxylic acid has a molecular weight of 206.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylcinnoline-6-carboxylic acid is sourced from PubChem (CID 150342725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).