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

C10H8N2O3S — CID 121344488

IUPAC6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2nc(CO)cs2)n1
InChIInChI=1S/C10H8N2O3S/c13-4-6-5-16-9(11-6)7-2-1-3-8(12-7)10(14)15/h1-3,5,13H,4H2,(H,14,15)
InChIKeyDOPSFQNQHYLYDT-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.40
Rot. Bonds3

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

6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 121344488) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID121344488
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2nc(CO)cs2)n1
InChIInChI=1S/C10H8N2O3S/c13-4-6-5-16-9(11-6)7-2-1-3-8(12-7)10(14)15/h1-3,5,13H,4H2,(H,14,15)
InChIKeyDOPSFQNQHYLYDT-UHFFFAOYSA-N
XLogP1.40
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740
CID 91986542
CID 91986542
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
CID 155289704
6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 22345553
2-[6-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]propan-2-ol
CID 121308355
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 139841739
6-(2,5-dimethyl-1,3-thiazol-4-yl)pyridine-2-carboxylic acid
CID 84736468
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid (CID 121344488) is 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2nc(CO)cs2)n1.
What is the InChIKey of 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is DOPSFQNQHYLYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-4-6-5-16-9(11-6)7-2-1-3-8(12-7)10(14)15/h1-3,5,13H,4H2,(H,14,15).
What are the key properties of 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid?
6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 121344488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).