2-(azetidin-1-yl)-5-chlorobenzoic acid

C10H10ClNO2 — CID 127018592

IUPAC2-(azetidin-1-yl)-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1N1CCC1
InChIInChI=1S/C10H10ClNO2/c11-7-2-3-9(12-4-1-5-12)8(6-7)10(13)14/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyGLIDUQILVPKVIO-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.25
Rot. Bonds2

About 2-(azetidin-1-yl)-5-chlorobenzoic acid

2-(azetidin-1-yl)-5-chlorobenzoic acid (PubChem CID 127018592) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-chlorobenzoic acid
PubChem CID127018592
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(azetidin-1-yl)-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1N1CCC1
InChIInChI=1S/C10H10ClNO2/c11-7-2-3-9(12-4-1-5-12)8(6-7)10(13)14/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyGLIDUQILVPKVIO-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
5-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784714
2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
CID 55009771
5-chloro-2-pyrrolidin-1-ylbenzenecarbothioamide
CID 62494678
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)benzoic acid
CID 114218452
2-(azepan-1-yl)-5-chlorobenzenecarbothioamide
CID 62494679
5-amino-2-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 12784713
5-chloro-2-(4-nonan-5-ylpiperidin-1-yl)benzoic acid
CID 13078635
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
(NZ)-N-[1-[2-(azonan-1-yl)-5-chlorophenyl]ethylidene]hydroxylamine
CID 129363342

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-chlorobenzoic acid?
The IUPAC name of 2-(azetidin-1-yl)-5-chlorobenzoic acid (CID 127018592) is 2-(azetidin-1-yl)-5-chlorobenzoic acid.
What is the SMILES notation for 2-(azetidin-1-yl)-5-chlorobenzoic acid?
The canonical SMILES for 2-(azetidin-1-yl)-5-chlorobenzoic acid is O=C(O)c1cc(Cl)ccc1N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-5-chlorobenzoic acid?
The InChIKey is GLIDUQILVPKVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-7-2-3-9(12-4-1-5-12)8(6-7)10(13)14/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 2-(azetidin-1-yl)-5-chlorobenzoic acid?
2-(azetidin-1-yl)-5-chlorobenzoic acid has a molecular weight of 211.65 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-chlorobenzoic acid is sourced from PubChem (CID 127018592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).