5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid

C10H11ClN2O2 — CID 84690742

IUPAC5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)c(Cl)cn1
InChIInChI=1S/C10H11ClN2O2/c11-7-6-12-8(10(14)15)5-9(7)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15)
InChIKeyHPAMNYXUBLSZOP-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.03
Rot. Bonds2

About 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid

5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid (PubChem CID 84690742) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid
PubChem CID84690742
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCCC2)c(Cl)cn1
InChIInChI=1S/C10H11ClN2O2/c11-7-6-12-8(10(14)15)5-9(7)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15)
InChIKeyHPAMNYXUBLSZOP-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

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Related Compounds

4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434
4-chloro-3-piperidin-1-ylbenzoic acid
CID 7148438
5-chloro-4-ethylpyridine-2-carboxylic acid
CID 82405973
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
2-piperidin-1-yl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid
CID 135386900
5-chloro-2-ethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 168515788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid (CID 84690742) is 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid is O=C(O)c1cc(N2CCCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid?
The InChIKey is HPAMNYXUBLSZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-7-6-12-8(10(14)15)5-9(7)13-3-1-2-4-13/h5-6H,1-4H2,(H,14,15).
What are the key properties of 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid?
5-chloro-4-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 5-chloro-4-pyrrolidin-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 84690742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).