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

C12H13ClN2O3 — CID 61370686

IUPAC2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H13ClN2O3/c13-8-3-4-14-10(6-8)12(18)15-5-1-2-9(15)7-11(16)17/h3-4,6,9H,1-2,5,7H2,(H,16,17)
InChIKeyHGMJBEUMFORRDS-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.81
Rot. Bonds3

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

2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61370686) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61370686
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C12H13ClN2O3/c13-8-3-4-14-10(6-8)12(18)15-5-1-2-9(15)7-11(16)17/h3-4,6,9H,1-2,5,7H2,(H,16,17)
InChIKeyHGMJBEUMFORRDS-UHFFFAOYSA-N
XLogP1.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-pyridinyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 86849322
2-[1-(2,4-dichlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372414
(4-chloro-2-pyridinyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 61051101
N-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]formamide
CID 174663819
2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603963
2-[1-(3,4-difluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370456
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370095
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452
2-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61370686) is 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is HGMJBEUMFORRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-8-3-4-14-10(6-8)12(18)15-5-1-2-9(15)7-11(16)17/h3-4,6,9H,1-2,5,7H2,(H,16,17).
What are the key properties of 2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 268.70 g/mol, XLogP of 1.81, 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)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).