3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid

C10H6ClN3O2S — CID 107063696

IUPAC3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ncccn2)c1Cl
InChIInChI=1S/C10H6ClN3O2S/c11-7-6(9(15)16)2-5-12-8(7)17-10-13-3-1-4-14-10/h1-5H,(H,15,16)
InChIKeyMUKOEPJFTZUIGL-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.37
Rot. Bonds3

About 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid

3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid (PubChem CID 107063696) has the molecular formula C10H6ClN3O2S and a molecular weight of 267.70 g/mol. Its IUPAC name is 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
PubChem CID107063696
Molecular FormulaC10H6ClN3O2S
Molecular Weight267.70 g/mol
Exact Mass266.99
IUPAC Name3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ncccn2)c1Cl
InChIInChI=1S/C10H6ClN3O2S/c11-7-6(9(15)16)2-5-12-8(7)17-10-13-3-1-4-14-10/h1-5H,(H,15,16)
InChIKeyMUKOEPJFTZUIGL-UHFFFAOYSA-N
XLogP2.37
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 107063739
2-tert-butylsulfanyl-3-chloropyridine-4-carboxylic acid
CID 107063650
3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063811
3-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carboxylic acid
CID 107063673
3-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063707
3-chloro-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063804
6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62701272
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 107063827
2-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine-4-carboxylic acid
CID 107555254
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
2-(4-cyanopyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 107548795

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid (CID 107063696) is 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid is O=C(O)c1ccnc(Sc2ncccn2)c1Cl.
What is the InChIKey of 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid?
The InChIKey is MUKOEPJFTZUIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S/c11-7-6(9(15)16)2-5-12-8(7)17-10-13-3-1-4-14-10/h1-5H,(H,15,16).
What are the key properties of 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid?
3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid has a molecular weight of 267.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 107063696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).