methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate

C16H14ClFN2O3 — CID 67958741

IUPACmethyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnc1N1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H14ClFN2O3/c1-22-16(21)14-5-10(17)7-19-15(14)20-8-13(9-20)23-12-4-2-3-11(18)6-12/h2-7,13H,8-9H2,1H3
InChIKeyTXKDXKQKIYQOND-UHFFFAOYSA-N
MW336.75 g/mol
LogP2.93
Rot. Bonds4

About methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate

methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate (PubChem CID 67958741) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate
PubChem CID67958741
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Namemethyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)cnc1N1CC(Oc2cccc(F)c2)C1
InChIInChI=1S/C16H14ClFN2O3/c1-22-16(21)14-5-10(17)7-19-15(14)20-8-13(9-20)23-12-4-2-3-11(18)6-12/h2-7,13H,8-9H2,1H3
InChIKeyTXKDXKQKIYQOND-UHFFFAOYSA-N
XLogP2.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S)-1-[[5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]ethyl]benzoic acid;4-[1-[[5-chloro-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 161144812
5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 67958118
4-[1-[[5-chloro-2-[3-(4-fluorophenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 67958666
methyl 4-[1-[[2-[3-(3-chlorophenoxy)azetidin-1-yl]-5-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclopropyl]benzoate
CID 67958389
5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]-N-[1-[4-(2H-tetrazol-5-yl)phenyl]cyclopropyl]pyridine-3-carboxamide;4-[1-[[5-chloro-2-[3-(3-fluorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 88533027
tert-butyl 4-[3-[1-[5-chloro-3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-2-pyridinyl]azetidin-3-yl]oxyphenyl]piperazine-1-carboxylate
CID 67958770
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
CID 166415195
methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
4-[1-[[5-chloro-2-[3-(3-piperazin-1-ylphenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 57378222
methyl 4-[1-[[5-chloro-2-[3-(4-fluoro-2-methylanilino)azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoate
CID 67958192
5-chloro-2-(3-fluorophenoxy)pyridine-3-carboxamide
CID 141112034

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate (CID 67958741) is methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cc(Cl)cnc1N1CC(Oc2cccc(F)c2)C1.
What is the InChIKey of methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate?
The InChIKey is TXKDXKQKIYQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-22-16(21)14-5-10(17)7-19-15(14)20-8-13(9-20)23-12-4-2-3-11(18)6-12/h2-7,13H,8-9H2,1H3.
What are the key properties of methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate?
methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate has a molecular weight of 336.75 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 67958741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).