6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid

C11H9ClN4O2S — CID 86679317

IUPAC6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCSc1nc(Cl)cc(Nc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C11H9ClN4O2S/c1-19-11-14-7(12)4-9(16-11)15-8-3-2-6(5-13-8)10(17)18/h2-5H,1H3,(H,17,18)(H,13,14,15,16)
InChIKeyNYJJBCZEFHELGA-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.69
Rot. Bonds4

About 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid

6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 86679317) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID86679317
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCSc1nc(Cl)cc(Nc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C11H9ClN4O2S/c1-19-11-14-7(12)4-9(16-11)15-8-3-2-6(5-13-8)10(17)18/h2-5H,1H3,(H,17,18)(H,13,14,15,16)
InChIKeyNYJJBCZEFHELGA-UHFFFAOYSA-N
XLogP2.69
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 28399946
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CID 28400380
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CID 214597
CID 214597
CID 118248580
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CID 86667969
CID 86667969
CID 2771794
CID 2771794
CID 492789
CID 492789
CID 492818
CID 492818
CID 28400076
CID 28400076
CID 154747200
CID 154747200

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid (CID 86679317) is 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid is CSc1nc(Cl)cc(Nc2ccc(C(=O)O)cn2)n1.
What is the InChIKey of 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is NYJJBCZEFHELGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-19-11-14-7(12)4-9(16-11)15-8-3-2-6(5-13-8)10(17)18/h2-5H,1H3,(H,17,18)(H,13,14,15,16).
What are the key properties of 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid?
6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 296.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 86679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).