3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid

C10H11ClN2O2S — CID 107063139

IUPAC3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCSC2)c1Cl
InChIInChI=1S/C10H11ClN2O2S/c11-8-7(10(14)15)1-3-12-9(8)13-6-2-4-16-5-6/h1,3,6H,2,4-5H2,(H,12,13)(H,14,15)
InChIKeyJESUYDWLBVESFM-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.35
Rot. Bonds3

About 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid

3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid (PubChem CID 107063139) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
PubChem CID107063139
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2CCSC2)c1Cl
InChIInChI=1S/C10H11ClN2O2S/c11-8-7(10(14)15)1-3-12-9(8)13-6-2-4-16-5-6/h1,3,6H,2,4-5H2,(H,12,13)(H,14,15)
InChIKeyJESUYDWLBVESFM-UHFFFAOYSA-N
XLogP2.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 107062071
3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
CID 103064284
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227
4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
CID 103063321
3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 107062908
5-chloro-N-(thiolan-3-yl)pyridin-2-amine
CID 103705049
2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 130550908
3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064707
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
4-methyl-2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 103063365
2-amino-3-(thiolan-3-ylamino)benzoic acid
CID 103064516
3-amino-2-(thiolan-3-ylamino)benzoic acid
CID 103064531

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid (CID 107063139) is 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC2CCSC2)c1Cl.
What is the InChIKey of 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid?
The InChIKey is JESUYDWLBVESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-8-7(10(14)15)1-3-12-9(8)13-6-2-4-16-5-6/h1,3,6H,2,4-5H2,(H,12,13)(H,14,15).
What are the key properties of 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid?
3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid has a molecular weight of 258.73 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).