3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid

C11H13ClN2O2 — CID 61224854

IUPAC3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-5-14(6-7)9-3-2-8(12)10(13-9)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyPMNCPAGDFSYTLA-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.28
Rot. Bonds2

About 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid

3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 61224854) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID61224854
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2ccc(Cl)c(C(=O)O)n2)C1
InChIInChI=1S/C11H13ClN2O2/c1-7-4-5-14(6-7)9-3-2-8(12)10(13-9)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyPMNCPAGDFSYTLA-UHFFFAOYSA-N
XLogP2.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 43196915
3-chloro-6-(2,3,5-trimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 114593616
[3-chloro-6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]methanamine
CID 62285664
3-chloro-6-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 72889396
3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 54975157
3-chloro-6-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 56703752
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 65321116
3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 43266685
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 114460162
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
3-(3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 62702520

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 61224854) is 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid is CC1CCN(c2ccc(Cl)c(C(=O)O)n2)C1.
What is the InChIKey of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is PMNCPAGDFSYTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-4-5-14(6-7)9-3-2-8(12)10(13-9)11(15)16/h2-3,7H,4-6H2,1H3,(H,15,16).
What are the key properties of 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-methylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 61224854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).