(2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid

C10H11FN2O2 — CID 68998172

IUPAC(2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid
SMILESO=C(O)NCc1cc(C2CC2)ncc1F
InChIInChI=1S/C10H11FN2O2/c11-8-5-12-9(6-1-2-6)3-7(8)4-13-10(14)15/h3,5-6,13H,1-2,4H2,(H,14,15)
InChIKeyRWHMLQOBYNFXND-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.87
Rot. Bonds3

About (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid

(2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid (PubChem CID 68998172) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid
PubChem CID68998172
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name(2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid
SMILESO=C(O)NCc1cc(C2CC2)ncc1F
InChIInChI=1S/C10H11FN2O2/c11-8-5-12-9(6-1-2-6)3-7(8)4-13-10(14)15/h3,5-6,13H,1-2,4H2,(H,14,15)
InChIKeyRWHMLQOBYNFXND-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid?
The IUPAC name of (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid (CID 68998172) is (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid?
The canonical SMILES for (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid is O=C(O)NCc1cc(C2CC2)ncc1F.
What is the InChIKey of (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid?
The InChIKey is RWHMLQOBYNFXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-8-5-12-9(6-1-2-6)3-7(8)4-13-10(14)15/h3,5-6,13H,1-2,4H2,(H,14,15).
What are the key properties of (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid?
(2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid has a molecular weight of 210.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-5-fluoro-4-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 68998172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).