5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine

C8H10ClFN2S — CID 79728558

IUPAC5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCNc1ncc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2S/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyMYNMTNBODZNWTG-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.65
Rot. Bonds4

About 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine

5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 79728558) has the molecular formula C8H10ClFN2S and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID79728558
Molecular FormulaC8H10ClFN2S
Molecular Weight220.70 g/mol
Exact Mass220.02
IUPAC Name5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCNc1ncc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2S/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyMYNMTNBODZNWTG-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
CID 104925521
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
5-chloro-3-fluoro-N-(2-prop-2-ynylsulfanylethyl)pyridin-2-amine
CID 103738602
5-chloro-N-(2,2-difluoropropyl)-3-fluoropyridin-2-amine
CID 130639761
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
5-chloro-3-fluoro-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 115681787
1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 79728261
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79728660
5-chloro-3-fluoro-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 115681742
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 79728558) is 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCNc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is MYNMTNBODZNWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2S/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 220.70 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 79728558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).