5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine

C12H11FN2S — CID 43302227

IUPAC5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2ccccc2F)cn1
InChIInChI=1S/C12H11FN2S/c13-11-4-2-1-3-9(11)8-16-10-5-6-12(14)15-7-10/h1-7H,8H2,(H2,14,15)
InChIKeyUIOFJIDMHFRKJE-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.10
Rot. Bonds3

About 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine

5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 43302227) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
PubChem CID43302227
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2ccccc2F)cn1
InChIInChI=1S/C12H11FN2S/c13-11-4-2-1-3-9(11)8-16-10-5-6-12(14)15-7-10/h1-7H,8H2,(H2,14,15)
InChIKeyUIOFJIDMHFRKJE-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 43302207
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91658314
3-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459175
5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine
CID 43302005
2-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 64770255
5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine
CID 112815230
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301933
1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
CID 91658064
5-[(1-phenylpyrazol-3-yl)methylsulfanyl]pyridin-2-amine
CID 62886029
5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301902
5-(thiophen-3-ylmethylsulfanyl)pyridin-2-amine
CID 43646241
4-[(6-amino-3-pyridinyl)sulfanylmethyl]-3-chlorobenzonitrile
CID 102668254

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine (CID 43302227) is 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2ccccc2F)cn1.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is UIOFJIDMHFRKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c13-11-4-2-1-3-9(11)8-16-10-5-6-12(14)15-7-10/h1-7H,8H2,(H2,14,15).
What are the key properties of 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine?
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 234.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43302227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).