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

C11H16ClFN2S — CID 104925521

IUPAC5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
SMILESCSCCCCCNc1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2S/c1-16-6-4-2-3-5-14-11-10(13)7-9(12)8-15-11/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyIBIWBQYFTPRSHZ-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.82
Rot. Bonds7

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

5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine (PubChem CID 104925521) has the molecular formula C11H16ClFN2S and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
PubChem CID104925521
Molecular FormulaC11H16ClFN2S
Molecular Weight262.78 g/mol
Exact Mass262.07
IUPAC Name5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
SMILESCSCCCCCNc1ncc(Cl)cc1F
InChIInChI=1S/C11H16ClFN2S/c1-16-6-4-2-3-5-14-11-10(13)7-9(12)8-15-11/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyIBIWBQYFTPRSHZ-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.82
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-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
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-fluoro-2-N-methyl-4-N-(6-methylsulfanylhexyl)pyrimidine-2,4-diamine
CID 114126675
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-chloro-N-(2,2-difluoropropyl)-3-fluoropyridin-2-amine
CID 130639761
5-fluoro-6-methyl-N-(6-methylsulfanylhexyl)pyrimidin-4-amine
CID 113413399
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
N-[(5-chloro-2-fluorophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923290
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine (CID 104925521) is 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine is CSCCCCCNc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine?
The InChIKey is IBIWBQYFTPRSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2S/c1-16-6-4-2-3-5-14-11-10(13)7-9(12)8-15-11/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine has a molecular weight of 262.78 g/mol, XLogP of 3.82, 7 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-(5-methylsulfanylpentyl)pyridin-2-amine is sourced from PubChem (CID 104925521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).