6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine

C12H12ClN3S — CID 79238731

IUPAC6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CSc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H12ClN3S/c1-14-11-4-2-3-10(16-11)8-17-12-6-5-9(13)7-15-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyGFVASFBQBMFKNA-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.46
Rot. Bonds4

About 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine

6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 79238731) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID79238731
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CSc2ccc(Cl)cn2)n1
InChIInChI=1S/C12H12ClN3S/c1-14-11-4-2-3-10(16-11)8-17-12-6-5-9(13)7-15-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyGFVASFBQBMFKNA-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine (CID 79238731) is 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine is CNc1cccc(CSc2ccc(Cl)cn2)n1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is GFVASFBQBMFKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-14-11-4-2-3-10(16-11)8-17-12-6-5-9(13)7-15-12/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine?
6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 265.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79238731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).