6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid

C10H11ClN2O2 — CID 118695072

IUPAC6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1N1CCCC1
InChIInChI=1S/C10H11ClN2O2/c11-8-4-3-7(9(12-8)10(14)15)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H,14,15)
InChIKeyIBJGMGJMHCVXIF-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.03
Rot. Bonds2

About 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid

6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid (PubChem CID 118695072) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
PubChem CID118695072
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1N1CCCC1
InChIInChI=1S/C10H11ClN2O2/c11-8-4-3-7(9(12-8)10(14)15)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H,14,15)
InChIKeyIBJGMGJMHCVXIF-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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

6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 171772651
1-(6-chloro-2-methyl-3-pyridinyl)azepane
CID 82225079
6-chloro-3-cyclopentylpyridine-2-carboxylic acid
CID 84725732
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
3,6-dichloropyridine-2-carboxylic acid;pyridine
CID 137368232
6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
CID 84721154
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278
(E)-3-[4-(azocan-1-yl)-3-chlorophenyl]prop-2-enoic acid
CID 81155154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid (CID 118695072) is 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid is O=C(O)c1nc(Cl)ccc1N1CCCC1.
What is the InChIKey of 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The InChIKey is IBJGMGJMHCVXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-4-3-7(9(12-8)10(14)15)13-5-1-2-6-13/h3-4H,1-2,5-6H2,(H,14,15).
What are the key properties of 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid?
6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 118695072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).