cyclopropylmethyl 5-aminopyridine-2-carboxylate

C10H12N2O2 — CID 81316089

IUPACcyclopropylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCC2CC2)nc1
InChIInChI=1S/C10H12N2O2/c11-8-3-4-9(12-5-8)10(13)14-6-7-1-2-7/h3-5,7H,1-2,6,11H2
InChIKeyJLGHIYCEYWGCSW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.23
Rot. Bonds3

About cyclopropylmethyl 5-aminopyridine-2-carboxylate

cyclopropylmethyl 5-aminopyridine-2-carboxylate (PubChem CID 81316089) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is cyclopropylmethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 5-aminopyridine-2-carboxylate
PubChem CID81316089
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namecyclopropylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCC2CC2)nc1
InChIInChI=1S/C10H12N2O2/c11-8-3-4-9(12-5-8)10(13)14-6-7-1-2-7/h3-5,7H,1-2,6,11H2
InChIKeyJLGHIYCEYWGCSW-UHFFFAOYSA-N
XLogP1.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of cyclopropylmethyl 5-aminopyridine-2-carboxylate (CID 81316089) is cyclopropylmethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCC2CC2)nc1.
What is the InChIKey of cyclopropylmethyl 5-aminopyridine-2-carboxylate?
The InChIKey is JLGHIYCEYWGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-3-4-9(12-5-8)10(13)14-6-7-1-2-7/h3-5,7H,1-2,6,11H2.
What are the key properties of cyclopropylmethyl 5-aminopyridine-2-carboxylate?
cyclopropylmethyl 5-aminopyridine-2-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81316089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).