(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid

C10H11ClN2O2 — CID 129353758

IUPAC(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C10H11ClN2O2/c11-9-5-8(1-3-12-9)13-4-2-7(6-13)10(14)15/h1,3,5,7H,2,4,6H2,(H,14,15)/t7-/m1/s1
InChIKeyUCMRUDQGOSLVDL-SSDOTTSWSA-N
MW226.66 g/mol
LogP1.65
Rot. Bonds2

About (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 129353758) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID129353758
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C10H11ClN2O2/c11-9-5-8(1-3-12-9)13-4-2-7(6-13)10(14)15/h1,3,5,7H,2,4,6H2,(H,14,15)/t7-/m1/s1
InChIKeyUCMRUDQGOSLVDL-SSDOTTSWSA-N
XLogP1.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
CID 103878204
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
1-(2-chloro-4-pyridinyl)pyrrolidine-3,4-diol
CID 106670872
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 133373804
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid (CID 129353758) is (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2ccnc(Cl)c2)C1.
What is the InChIKey of (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is UCMRUDQGOSLVDL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-5-8(1-3-12-9)13-4-2-7(6-13)10(14)15/h1,3,5,7H,2,4,6H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129353758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).