4-fluorocinnoline-3-carboxamide

C9H6FN3O — CID 154140705

IUPAC4-fluorocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccccc2c1F
InChIInChI=1S/C9H6FN3O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,11,14)
InChIKeyIRHPMCVILDCHME-UHFFFAOYSA-N
MW191.16 g/mol
LogP0.87
Rot. Bonds1

About 4-fluorocinnoline-3-carboxamide

4-fluorocinnoline-3-carboxamide (PubChem CID 154140705) has the molecular formula C9H6FN3O and a molecular weight of 191.16 g/mol. Its IUPAC name is 4-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-fluorocinnoline-3-carboxamide
PubChem CID154140705
Molecular FormulaC9H6FN3O
Molecular Weight191.16 g/mol
Exact Mass191.05
IUPAC Name4-fluorocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2ccccc2c1F
InChIInChI=1S/C9H6FN3O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,11,14)
InChIKeyIRHPMCVILDCHME-UHFFFAOYSA-N
XLogP0.87
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-fluorocinnoline-3-carboxamide (CID 154140705) is 4-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-fluorocinnoline-3-carboxamide is NC(=O)c1nnc2ccccc2c1F.
What is the InChIKey of 4-fluorocinnoline-3-carboxamide?
The InChIKey is IRHPMCVILDCHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,11,14).
What are the key properties of 4-fluorocinnoline-3-carboxamide?
4-fluorocinnoline-3-carboxamide has a molecular weight of 191.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 154140705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).