[6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid

C9H9FN2O2 — CID 175536090

IUPAC[6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(C2(F)CC2)nc1
InChIInChI=1S/C9H9FN2O2/c10-9(3-4-9)7-2-1-6(5-11-7)12-8(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyLXZXHRLPVFNMEI-UHFFFAOYSA-N
MW196.18 g/mol
LogP2.13
Rot. Bonds2

About [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid

[6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid (PubChem CID 175536090) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid
PubChem CID175536090
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name[6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(C2(F)CC2)nc1
InChIInChI=1S/C9H9FN2O2/c10-9(3-4-9)7-2-1-6(5-11-7)12-8(13)14/h1-2,5,12H,3-4H2,(H,13,14)
InChIKeyLXZXHRLPVFNMEI-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid (CID 175536090) is [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid is O=C(O)Nc1ccc(C2(F)CC2)nc1.
What is the InChIKey of [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid?
The InChIKey is LXZXHRLPVFNMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-9(3-4-9)7-2-1-6(5-11-7)12-8(13)14/h1-2,5,12H,3-4H2,(H,13,14).
What are the key properties of [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid?
[6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid has a molecular weight of 196.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-fluorocyclopropyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 175536090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).