[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine

C14H14F2N2S — CID 81052393

IUPAC[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Sc2cc(F)ccc2F)c(CN)c(C)n1
InChIInChI=1S/C14H14F2N2S/c1-8-5-13(11(7-17)9(2)18-8)19-14-6-10(15)3-4-12(14)16/h3-6H,7,17H2,1-2H3
InChIKeyBBPNESDYIMLCTR-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.59
Rot. Bonds3

About [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine

[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine (PubChem CID 81052393) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
PubChem CID81052393
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
SMILESCc1cc(Sc2cc(F)ccc2F)c(CN)c(C)n1
InChIInChI=1S/C14H14F2N2S/c1-8-5-13(11(7-17)9(2)18-8)19-14-6-10(15)3-4-12(14)16/h3-6H,7,17H2,1-2H3
InChIKeyBBPNESDYIMLCTR-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine (CID 81052393) is [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine is Cc1cc(Sc2cc(F)ccc2F)c(CN)c(C)n1.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
The InChIKey is BBPNESDYIMLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c1-8-5-13(11(7-17)9(2)18-8)19-14-6-10(15)3-4-12(14)16/h3-6H,7,17H2,1-2H3.
What are the key properties of [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine?
[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine has a molecular weight of 280.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81052393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).