6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine

C12H10ClFN2S — CID 102616314

IUPAC6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2cc(F)ccc2Cl)nc1
InChIInChI=1S/C12H10ClFN2S/c13-11-3-1-9(14)5-8(11)7-17-12-4-2-10(15)6-16-12/h1-6H,7,15H2
InChIKeyVDFDKAVKHRBUBN-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.75
Rot. Bonds3

About 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine

6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 102616314) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID102616314
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2cc(F)ccc2Cl)nc1
InChIInChI=1S/C12H10ClFN2S/c13-11-3-1-9(14)5-8(11)7-17-12-4-2-10(15)6-16-12/h1-6H,7,15H2
InChIKeyVDFDKAVKHRBUBN-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 43301227
2-[(5-bromo-2-pyridinyl)sulfanylmethyl]-5-fluoroaniline
CID 64770211
6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301402
6-[(4-methylsulfanylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301285
6-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
CID 43301014
6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 54971788
6-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 43301201
6-[(4-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 43301491
6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-amine
CID 43300931
4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine
CID 102620314
6-(2-fluoroethylsulfanyl)pyridin-3-amine
CID 80694256

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine (CID 102616314) is 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine is Nc1ccc(SCc2cc(F)ccc2Cl)nc1.
What is the InChIKey of 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is VDFDKAVKHRBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c13-11-3-1-9(14)5-8(11)7-17-12-4-2-10(15)6-16-12/h1-6H,7,15H2.
What are the key properties of 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine?
6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 268.74 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 102616314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).