propan-2-yl 2-amino-5-chloropyridine-3-carboxylate

C9H11ClN2O2 — CID 133055462

IUPACpropan-2-yl 2-amino-5-chloropyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C9H11ClN2O2/c1-5(2)14-9(13)7-3-6(10)4-12-8(7)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyPRHTZSPZJAIVJG-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.88
Rot. Bonds2

About propan-2-yl 2-amino-5-chloropyridine-3-carboxylate

propan-2-yl 2-amino-5-chloropyridine-3-carboxylate (PubChem CID 133055462) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is propan-2-yl 2-amino-5-chloropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-5-chloropyridine-3-carboxylate
PubChem CID133055462
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namepropan-2-yl 2-amino-5-chloropyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C9H11ClN2O2/c1-5(2)14-9(13)7-3-6(10)4-12-8(7)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyPRHTZSPZJAIVJG-UHFFFAOYSA-N
XLogP1.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-amino-5-chloropyridine-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

Related Compounds

propan-2-yl 2,5-dichloropyridine-3-carboxylate
CID 133060065
propan-2-yl 3-bromo-5-chloropyridine-2-carboxylate
CID 133063626
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
propan-2-yl 4-chloro-6-methylpyridine-3-carboxylate
CID 68730324
1-(2-amino-5-chloro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 103455576
propan-2-yl 5-amino-2-fluoropyridine-4-carboxylate
CID 133057091
propan-2-yl 5-bromo-2-chloropyridine-4-carboxylate
CID 130572345
propan-2-yl 5-amino-2-iodopyridine-3-carboxylate
CID 133055734
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
2-amino-1-(2-amino-5-chloro-3-pyridinyl)hexan-1-one
CID 116556739
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
CID 116747324
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
CID 65131200

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-5-chloropyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-5-chloropyridine-3-carboxylate (CID 133055462) is propan-2-yl 2-amino-5-chloropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-5-chloropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-5-chloropyridine-3-carboxylate is CC(C)OC(=O)c1cc(Cl)cnc1N.
What is the InChIKey of propan-2-yl 2-amino-5-chloropyridine-3-carboxylate?
The InChIKey is PRHTZSPZJAIVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-5(2)14-9(13)7-3-6(10)4-12-8(7)11/h3-5H,1-2H3,(H2,11,12).
What are the key properties of propan-2-yl 2-amino-5-chloropyridine-3-carboxylate?
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate has a molecular weight of 214.65 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-5-chloropyridine-3-carboxylate is sourced from PubChem (CID 133055462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).