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

C12H10ClFN2S — CID 43300706

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1c(F)cccc1Cl
InChIInChI=1S/C12H10ClFN2S/c13-9-3-1-4-10(14)8(9)7-17-12-11(15)5-2-6-16-12/h1-6H,7,15H2
InChIKeyKLQRYBSFQNCBOS-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.75
Rot. Bonds3

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

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300706) has the molecular formula C12H10ClFN2S and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43300706
Molecular FormulaC12H10ClFN2S
Molecular Weight268.74 g/mol
Exact Mass268.02
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1c(F)cccc1Cl
InChIInChI=1S/C12H10ClFN2S/c13-9-3-1-4-10(14)8(9)7-17-12-11(15)5-2-6-16-12/h1-6H,7,15H2
InChIKeyKLQRYBSFQNCBOS-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

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 2780046
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
2-[(3,5-difluorophenyl)methylsulfanyl]pyridin-3-amine
CID 105403862
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 79133653
3-[(3-amino-2-pyridinyl)sulfanylmethyl]-2-fluorobenzonitrile
CID 107118270
1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
CID 2804332
4-bromo-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 79533457
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)pyrazin-2-one
CID 20941794
[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118927
3-chloro-2-(pyrimidin-2-ylmethylsulfanyl)aniline
CID 62699384
2-[(4-bromophenyl)methylsulfanyl]pyridin-3-amine
CID 43300797
3-chloro-2-[(3,4-difluorophenyl)methylsulfanyl]pyridine
CID 78846715

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine (CID 43300706) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine is Nc1cccnc1SCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is KLQRYBSFQNCBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2S/c13-9-3-1-4-10(14)8(9)7-17-12-11(15)5-2-6-16-12/h1-6H,7,15H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine?
2-[(2-chloro-6-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 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).