5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid

C14H11ClN2O4 — CID 88503999

IUPAC5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc2n(c1-c1ccc(Cl)nc1)CC(C(=O)O)C2
InChIInChI=1S/C14H11ClN2O4/c15-11-2-1-7(5-16-11)12-10(14(20)21)4-9-3-8(13(18)19)6-17(9)12/h1-2,4-5,8H,3,6H2,(H,18,19)(H,20,21)
InChIKeyIDUOKNSQGBIXJK-UHFFFAOYSA-N
MW306.70 g/mol
LogP2.16
Rot. Bonds3

About 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid

5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid (PubChem CID 88503999) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid
PubChem CID88503999
Molecular FormulaC14H11ClN2O4
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc2n(c1-c1ccc(Cl)nc1)CC(C(=O)O)C2
InChIInChI=1S/C14H11ClN2O4/c15-11-2-1-7(5-16-11)12-10(14(20)21)4-9-3-8(13(18)19)6-17(9)12/h1-2,4-5,8H,3,6H2,(H,18,19)(H,20,21)
InChIKeyIDUOKNSQGBIXJK-UHFFFAOYSA-N
XLogP2.16
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-carboxy-2-oxopyrrolidin-1-yl)-2-chloropyridine-4-carboxylic acid
CID 168691533
dimethyl 3-(6-chloro-3-pyridinyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylate
CID 14623614
3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83869831
3-(6-chloro-3-pyridinyl)-1,2-thiazole-5-carboxylic acid
CID 87097857
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid;hydrochloride
CID 136705411
2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222587
2-(6-chloro-3-pyridinyl)-3-methoxycarbonylbenzoic acid
CID 174456248
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
2-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 88510664
4-(4-amino-2-oxopyrrolidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 168701054
(3aS,6aS)-4-(6-chloro-3-pyridinyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 87940843
3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83658407

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid (CID 88503999) is 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid is O=C(O)c1cc2n(c1-c1ccc(Cl)nc1)CC(C(=O)O)C2.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid?
The InChIKey is IDUOKNSQGBIXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-11-2-1-7(5-16-11)12-10(14(20)21)4-9-3-8(13(18)19)6-17(9)12/h1-2,4-5,8H,3,6H2,(H,18,19)(H,20,21).
What are the key properties of 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid?
5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid has a molecular weight of 306.70 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-2,3-dihydro-1H-pyrrolizine-2,6-dicarboxylic acid is sourced from PubChem (CID 88503999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).