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

C12H10F2N2S — CID 43528725

IUPAC[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
SMILESNCc1cccnc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2S/c13-9-3-4-11(10(14)6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2
InChIKeyAEKVCSOFQFZMKL-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.97
Rot. Bonds3

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

[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 43528725) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
PubChem CID43528725
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
SMILESNCc1cccnc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2S/c13-9-3-4-11(10(14)6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2
InChIKeyAEKVCSOFQFZMKL-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,4-difluorophenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514770
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43167561
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465416
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528942
3-[2-(2,4-dichlorophenyl)sulfanyl-3-pyridinyl]propan-1-amine
CID 170878302
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 64765590
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
[2-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 107752020
4-(2,4-difluorophenyl)sulfanyl-5-iodo-1H-pyrimidin-6-one
CID 114791080
[2-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528979
2-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057620

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine (CID 43528725) is [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine is NCc1cccnc1Sc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is AEKVCSOFQFZMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-9-3-4-11(10(14)6-9)17-12-8(7-15)2-1-5-16-12/h1-6H,7,15H2.
What are the key properties of [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine?
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 252.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine is sourced from PubChem (CID 43528725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).