propan-2-yl 6-aminopyridine-3-carboxylate

C9H12N2O2 — CID 58772612

IUPACpropan-2-yl 6-aminopyridine-3-carboxylate
SMILESCC(C)OC(=O)c1ccc(N)nc1
InChIInChI=1S/C9H12N2O2/c1-6(2)13-9(12)7-3-4-8(10)11-5-7/h3-6H,1-2H3,(H2,10,11)
InChIKeyYCYCTWVHPGSEFU-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.23
Rot. Bonds2

About propan-2-yl 6-aminopyridine-3-carboxylate

propan-2-yl 6-aminopyridine-3-carboxylate (PubChem CID 58772612) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is propan-2-yl 6-aminopyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-aminopyridine-3-carboxylate
PubChem CID58772612
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namepropan-2-yl 6-aminopyridine-3-carboxylate
SMILESCC(C)OC(=O)c1ccc(N)nc1
InChIInChI=1S/C9H12N2O2/c1-6(2)13-9(12)7-3-4-8(10)11-5-7/h3-6H,1-2H3,(H2,10,11)
InChIKeyYCYCTWVHPGSEFU-UHFFFAOYSA-N
XLogP1.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 6-aminopyridine-3-carboxylate 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 propan-2-yl 6-aminopyridine-3-carboxylate?
The IUPAC name of propan-2-yl 6-aminopyridine-3-carboxylate (CID 58772612) is propan-2-yl 6-aminopyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 6-aminopyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 6-aminopyridine-3-carboxylate is CC(C)OC(=O)c1ccc(N)nc1.
What is the InChIKey of propan-2-yl 6-aminopyridine-3-carboxylate?
The InChIKey is YCYCTWVHPGSEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(2)13-9(12)7-3-4-8(10)11-5-7/h3-6H,1-2H3,(H2,10,11).
What are the key properties of propan-2-yl 6-aminopyridine-3-carboxylate?
propan-2-yl 6-aminopyridine-3-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-aminopyridine-3-carboxylate is sourced from PubChem (CID 58772612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).