(6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid

C7H6FN3O3 — CID 131986064

IUPAC(6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid
SMILESNC(=O)c1ncc(NC(=O)O)cc1F
InChIInChI=1S/C7H6FN3O3/c8-4-1-3(11-7(13)14)2-10-5(4)6(9)12/h1-2,11H,(H2,9,12)(H,13,14)
InChIKeyZQLRXMVAMOLWMR-UHFFFAOYSA-N
MW199.14 g/mol
LogP0.41
Rot. Bonds2

About (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid

(6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid (PubChem CID 131986064) has the molecular formula C7H6FN3O3 and a molecular weight of 199.14 g/mol. Its IUPAC name is (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid
PubChem CID131986064
Molecular FormulaC7H6FN3O3
Molecular Weight199.14 g/mol
Exact Mass199.04
IUPAC Name(6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid
SMILESNC(=O)c1ncc(NC(=O)O)cc1F
InChIInChI=1S/C7H6FN3O3/c8-4-1-3(11-7(13)14)2-10-5(4)6(9)12/h1-2,11H,(H2,9,12)(H,13,14)
InChIKeyZQLRXMVAMOLWMR-UHFFFAOYSA-N
XLogP0.41
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid?
The IUPAC name of (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid (CID 131986064) is (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid.
What is the SMILES notation for (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid?
The canonical SMILES for (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid is NC(=O)c1ncc(NC(=O)O)cc1F.
What is the InChIKey of (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid?
The InChIKey is ZQLRXMVAMOLWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O3/c8-4-1-3(11-7(13)14)2-10-5(4)6(9)12/h1-2,11H,(H2,9,12)(H,13,14).
What are the key properties of (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid?
(6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid has a molecular weight of 199.14 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-carbamoyl-5-fluoro-3-pyridinyl)carbamic acid is sourced from PubChem (CID 131986064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).