methyl 1-pyridin-4-ylazetidine-3-carboxylate

C10H12N2O2 — CID 175714274

IUPACmethyl 1-pyridin-4-ylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(c2ccncc2)C1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)8-6-12(7-8)9-2-4-11-5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyZAMFWOZVIFJFSF-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.69
Rot. Bonds2

About methyl 1-pyridin-4-ylazetidine-3-carboxylate

methyl 1-pyridin-4-ylazetidine-3-carboxylate (PubChem CID 175714274) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 1-pyridin-4-ylazetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-pyridin-4-ylazetidine-3-carboxylate
PubChem CID175714274
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 1-pyridin-4-ylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(c2ccncc2)C1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)8-6-12(7-8)9-2-4-11-5-3-9/h2-5,8H,6-7H2,1H3
InChIKeyZAMFWOZVIFJFSF-UHFFFAOYSA-N
XLogP0.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-pyridin-4-ylazetidine-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

methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
morpholin-4-yl-(1-pyridin-4-ylazetidin-3-yl)methanone
CID 163357808
methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
CID 129497903
methyl 1-(4-bromophenyl)pyrrolidine-3-carboxylate
CID 83981693
2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
methyl 2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetate
CID 67665335
methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
CID 115538410
methyl 5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxylate
CID 50879682
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488

Frequently Asked Questions

What is the IUPAC name of methyl 1-pyridin-4-ylazetidine-3-carboxylate?
The IUPAC name of methyl 1-pyridin-4-ylazetidine-3-carboxylate (CID 175714274) is methyl 1-pyridin-4-ylazetidine-3-carboxylate.
What is the SMILES notation for methyl 1-pyridin-4-ylazetidine-3-carboxylate?
The canonical SMILES for methyl 1-pyridin-4-ylazetidine-3-carboxylate is COC(=O)C1CN(c2ccncc2)C1.
What is the InChIKey of methyl 1-pyridin-4-ylazetidine-3-carboxylate?
The InChIKey is ZAMFWOZVIFJFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)8-6-12(7-8)9-2-4-11-5-3-9/h2-5,8H,6-7H2,1H3.
What are the key properties of methyl 1-pyridin-4-ylazetidine-3-carboxylate?
methyl 1-pyridin-4-ylazetidine-3-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-pyridin-4-ylazetidine-3-carboxylate is sourced from PubChem (CID 175714274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).