3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid

C9H8ClNO3S — CID 107063804

IUPAC3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(SC2COC2)c1Cl
InChIInChI=1S/C9H8ClNO3S/c10-7-6(9(12)13)1-2-11-8(7)15-5-3-14-4-5/h1-2,5H,3-4H2,(H,12,13)
InChIKeyONWWOFYBSUVZJQ-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.92
Rot. Bonds3

About 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid

3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid (PubChem CID 107063804) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
PubChem CID107063804
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(SC2COC2)c1Cl
InChIInChI=1S/C9H8ClNO3S/c10-7-6(9(12)13)1-2-11-8(7)15-5-3-14-4-5/h1-2,5H,3-4H2,(H,12,13)
InChIKeyONWWOFYBSUVZJQ-UHFFFAOYSA-N
XLogP1.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxetan-3-ylsulfanyl)pyrazine-2-carboxylic acid
CID 79327020
3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
CID 107063696
2-tert-butylsulfanyl-3-chloropyridine-4-carboxylic acid
CID 107063650
3-chloro-2-(oxetan-3-ylsulfanyl)pyridine
CID 130677959
ethyl 3-amino-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylate
CID 79325861
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 107063827
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
3-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 107063739
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
3-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063707
3-chloro-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid
CID 79327258
5-chloro-4-(oxetan-3-ylsulfanyl)-1H-pyrimidin-6-one
CID 114791303

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid (CID 107063804) is 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(SC2COC2)c1Cl.
What is the InChIKey of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid?
The InChIKey is ONWWOFYBSUVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c10-7-6(9(12)13)1-2-11-8(7)15-5-3-14-4-5/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid?
3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid has a molecular weight of 245.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).