4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine

C12H11FN2S — CID 62467659

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESNc1cc(CSc2ccc(F)cc2)ccn1
InChIInChI=1S/C12H11FN2S/c13-10-1-3-11(4-2-10)16-8-9-5-6-15-12(14)7-9/h1-7H,8H2,(H2,14,15)
InChIKeyWNBOJAPWIBLPKR-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.10
Rot. Bonds3

About 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine

4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62467659) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62467659
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESNc1cc(CSc2ccc(F)cc2)ccn1
InChIInChI=1S/C12H11FN2S/c13-10-1-3-11(4-2-10)16-8-9-5-6-15-12(14)7-9/h1-7H,8H2,(H2,14,15)
InChIKeyWNBOJAPWIBLPKR-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine (CID 62467659) is 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine is Nc1cc(CSc2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is WNBOJAPWIBLPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c13-10-1-3-11(4-2-10)16-8-9-5-6-15-12(14)7-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
4-[(4-fluorophenyl)sulfanylmethyl]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 4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62467659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).