5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine

C14H14ClFN2S — CID 62887070

IUPAC5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C14H14ClFN2S/c1-2-17-14-8-7-12(15)13(18-14)9-19-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyFJBPOSYPQGBARK-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.60
Rot. Bonds5

About 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine

5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62887070) has the molecular formula C14H14ClFN2S and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID62887070
Molecular FormulaC14H14ClFN2S
Molecular Weight296.80 g/mol
Exact Mass296.06
IUPAC Name5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C14H14ClFN2S/c1-2-17-14-8-7-12(15)13(18-14)9-19-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyFJBPOSYPQGBARK-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine (CID 62887070) is 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine is CCNc1ccc(Cl)c(CSc2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is FJBPOSYPQGBARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2S/c1-2-17-14-8-7-12(15)13(18-14)9-19-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 296.80 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62887070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).