methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate

C10H12N2O2 — CID 55296832

IUPACmethyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc([C@H]2CCN2)nc1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)7-2-3-8(12-6-7)9-4-5-11-9/h2-3,6,9,11H,4-5H2,1H3/t9-/m1/s1
InChIKeyUCPNHTSSKUXBFI-SECBINFHSA-N
MW192.22 g/mol
LogP0.90
Rot. Bonds2

About methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate

methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate (PubChem CID 55296832) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate
PubChem CID55296832
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc([C@H]2CCN2)nc1
InChIInChI=1S/C10H12N2O2/c1-14-10(13)7-2-3-8(12-6-7)9-4-5-11-9/h2-3,6,9,11H,4-5H2,1H3/t9-/m1/s1
InChIKeyUCPNHTSSKUXBFI-SECBINFHSA-N
XLogP0.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-piperidin-2-ylpyridine-3-carboxylate
CID 115032044
methyl 6-[(1S)-2-oxocyclopentyl]pyridine-3-carboxylate
CID 97036868
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
methyl 4-[(2S)-4-[5-(difluoromethyl)pyrazin-2-yl]piperidin-2-yl]benzoate
CID 170632746
methyl 6-[[(2S,3R)-3-phenylpyrrolidine-2-carbonyl]amino]pyridine-3-carboxylate
CID 118100744
2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507
methyl 4-[(2S,4R)-4-hydroxypiperidin-2-yl]benzoate
CID 155904004
methyl 4-[(2R,4S)-4-hydroxypiperidin-2-yl]benzoate
CID 155905251
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate (CID 55296832) is methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate is COC(=O)c1ccc([C@H]2CCN2)nc1.
What is the InChIKey of methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate?
The InChIKey is UCPNHTSSKUXBFI-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)7-2-3-8(12-6-7)9-4-5-11-9/h2-3,6,9,11H,4-5H2,1H3/t9-/m1/s1.
What are the key properties of methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate?
methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2R)-azetidin-2-yl]pyridine-3-carboxylate is sourced from PubChem (CID 55296832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).