3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid

C13H13ClN2O2S — CID 107062606

IUPAC3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(Cc1cccs1)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-8(7-9-3-2-6-19-9)16-12-11(14)10(13(17)18)4-5-15-12/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLRQZQRLCBIWQLJ-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.54
Rot. Bonds5

About 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid

3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 107062606) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID107062606
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(Cc1cccs1)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-8(7-9-3-2-6-19-9)16-12-11(14)10(13(17)18)4-5-15-12/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyLRQZQRLCBIWQLJ-UHFFFAOYSA-N
XLogP3.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-chloro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 63293665
2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568782
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
1-propyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573450
2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 114888224
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
6-chloro-5-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 63730032
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80757935

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid (CID 107062606) is 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid is CC(Cc1cccs1)Nc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is LRQZQRLCBIWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8(7-9-3-2-6-19-9)16-12-11(14)10(13(17)18)4-5-15-12/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid?
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 296.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107062606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).