3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine

C12H10F2N2S — CID 62468556

IUPAC3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ncccc1CSc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2S/c13-9-3-4-11(10(14)6-9)17-7-8-2-1-5-16-12(8)15/h1-6H,7H2,(H2,15,16)
InChIKeyMHIQBJBSPFUBDM-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.23
Rot. Bonds3

About 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine

3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62468556) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62468556
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ncccc1CSc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2S/c13-9-3-4-11(10(14)6-9)17-7-8-2-1-5-16-12(8)15/h1-6H,7H2,(H2,15,16)
InChIKeyMHIQBJBSPFUBDM-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465416
3-[(2,4-difluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468384
2-[(2-chloro-3-pyridinyl)methylsulfanyl]-5-fluoroaniline
CID 62470374
1-[(2,3-difluorophenyl)methylsulfanyl]-2,4-difluorobenzene
CID 52520219
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62468560
8-[(2,5-difluorophenyl)sulfanylmethyl]quinolin-5-amine
CID 43518973
2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 62045799
4-[(2-bromo-5-fluorophenyl)methylsulfanyl]-3-fluoroaniline
CID 43303356
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]aniline
CID 64767853

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine (CID 62468556) is 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine is Nc1ncccc1CSc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is MHIQBJBSPFUBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-9-3-4-11(10(14)6-9)17-7-8-2-1-5-16-12(8)15/h1-6H,7H2,(H2,15,16).
What are the key properties of 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine?
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 252.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62468556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).