2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid

C11H11ClN2O3 — CID 64603963

IUPAC2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C11H11ClN2O3/c12-8-1-2-13-9(4-8)11(17)14-5-7(6-14)3-10(15)16/h1-2,4,7H,3,5-6H2,(H,15,16)
InChIKeyZNGCOWOFOTVYMG-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.28
Rot. Bonds3

About 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid

2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64603963) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64603963
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2cc(Cl)ccn2)C1
InChIInChI=1S/C11H11ClN2O3/c12-8-1-2-13-9(4-8)11(17)14-5-7(6-14)3-10(15)16/h1-2,4,7H,3,5-6H2,(H,15,16)
InChIKeyZNGCOWOFOTVYMG-UHFFFAOYSA-N
XLogP1.28
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370686
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
[1-(4-chloropyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 61053200
2-[4-(4-chloropyridine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823041
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64605803
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875
1-benzyl-4-(4-chloropyridine-2-carbonyl)piperazine-2-carbonitrile
CID 71875940
2-[1-(2-chloro-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 106860599
2-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]acetonitrile
CID 103714855

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid (CID 64603963) is 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2cc(Cl)ccn2)C1.
What is the InChIKey of 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is ZNGCOWOFOTVYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-8-1-2-13-9(4-8)11(17)14-5-7(6-14)3-10(15)16/h1-2,4,7H,3,5-6H2,(H,15,16).
What are the key properties of 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 254.67 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).