5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine

C7H9ClN2S — CID 54594448

IUPAC5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine
SMILESCSCc1nc(N)ccc1Cl
InChIInChI=1S/C7H9ClN2S/c1-11-4-6-5(8)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyQJKGQDMQVRWUQO-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.18
Rot. Bonds2

About 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine

5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine (PubChem CID 54594448) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine
PubChem CID54594448
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine
SMILESCSCc1nc(N)ccc1Cl
InChIInChI=1S/C7H9ClN2S/c1-11-4-6-5(8)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyQJKGQDMQVRWUQO-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine (CID 54594448) is 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine is CSCc1nc(N)ccc1Cl.
What is the InChIKey of 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine?
The InChIKey is QJKGQDMQVRWUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c1-11-4-6-5(8)2-3-7(9)10-6/h2-3H,4H2,1H3,(H2,9,10).
What are the key properties of 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine?
5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine has a molecular weight of 188.68 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 54594448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).