azetidin-3-yl pyridine-2-carboxylate

C9H10N2O2 — CID 130016226

IUPACazetidin-3-yl pyridine-2-carboxylate
SMILESO=C(OC1CNC1)c1ccccn1
InChIInChI=1S/C9H10N2O2/c12-9(13-7-5-10-6-7)8-3-1-2-4-11-8/h1-4,7,10H,5-6H2
InChIKeyMPNOXDCPUYOHFY-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.21
Rot. Bonds2

About azetidin-3-yl pyridine-2-carboxylate

azetidin-3-yl pyridine-2-carboxylate (PubChem CID 130016226) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is azetidin-3-yl pyridine-2-carboxylate.

Molecular Properties

Compound Nameazetidin-3-yl pyridine-2-carboxylate
PubChem CID130016226
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Nameazetidin-3-yl pyridine-2-carboxylate
SMILESO=C(OC1CNC1)c1ccccn1
InChIInChI=1S/C9H10N2O2/c12-9(13-7-5-10-6-7)8-3-1-2-4-11-8/h1-4,7,10H,5-6H2
InChIKeyMPNOXDCPUYOHFY-UHFFFAOYSA-N
XLogP0.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 168757336
2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
CID 71645154
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
piperazin-1-yl pyridine-2-carboxylate;dihydrochloride
CID 177001655
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
pyrrolidin-3-yl 4-chloropyridine-2-carboxylate;hydrochloride
CID 56829440
ethyl pyridine-2-carboxylate
CID 17307
(1-cyclopropylcyclopropyl) pyridine-2-carboxylate
CID 71974826
pyrrolidin-1-yl pyridine-2-carboxylate
CID 118695121
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
[(1R)-2-bromocyclohex-2-en-1-yl] pyridine-2-carboxylate
CID 125476983
(4-fluorobenzoyl) pyridine-2-carboxylate
CID 154414835

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl pyridine-2-carboxylate?
The IUPAC name of azetidin-3-yl pyridine-2-carboxylate (CID 130016226) is azetidin-3-yl pyridine-2-carboxylate.
What is the SMILES notation for azetidin-3-yl pyridine-2-carboxylate?
The canonical SMILES for azetidin-3-yl pyridine-2-carboxylate is O=C(OC1CNC1)c1ccccn1.
What is the InChIKey of azetidin-3-yl pyridine-2-carboxylate?
The InChIKey is MPNOXDCPUYOHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(13-7-5-10-6-7)8-3-1-2-4-11-8/h1-4,7,10H,5-6H2.
What are the key properties of azetidin-3-yl pyridine-2-carboxylate?
azetidin-3-yl pyridine-2-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl pyridine-2-carboxylate is sourced from PubChem (CID 130016226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).