6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

C11H9F2N3O3S — CID 144984180

IUPAC6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2nc(C(F)(F)CO)cs2)nc1
InChIInChI=1S/C11H9F2N3O3S/c12-11(13,5-17)7-4-20-10(15-7)16-8-2-1-6(3-14-8)9(18)19/h1-4,17H,5H2,(H,18,19)(H,14,15,16)
InChIKeyGVXXMYRLHCCQGX-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.06
Rot. Bonds5

About 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid

6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 144984180) has the molecular formula C11H9F2N3O3S and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID144984180
Molecular FormulaC11H9F2N3O3S
Molecular Weight301.27 g/mol
Exact Mass301.03
IUPAC Name6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2nc(C(F)(F)CO)cs2)nc1
InChIInChI=1S/C11H9F2N3O3S/c12-11(13,5-17)7-4-20-10(15-7)16-8-2-1-6(3-14-8)9(18)19/h1-4,17H,5H2,(H,18,19)(H,14,15,16)
InChIKeyGVXXMYRLHCCQGX-UHFFFAOYSA-N
XLogP2.06
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid (CID 144984180) is 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2nc(C(F)(F)CO)cs2)nc1.
What is the InChIKey of 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is GVXXMYRLHCCQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3S/c12-11(13,5-17)7-4-20-10(15-7)16-8-2-1-6(3-14-8)9(18)19/h1-4,17H,5H2,(H,18,19)(H,14,15,16).
What are the key properties of 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid?
6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 301.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 144984180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).