6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine

C13H13FN2S — CID 103825810

IUPAC6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
SMILESCSc1ccc(CNc2ccc(F)nc2)cc1
InChIInChI=1S/C13H13FN2S/c1-17-12-5-2-10(3-6-12)8-15-11-4-7-13(14)16-9-11/h2-7,9,15H,8H2,1H3
InChIKeyGMQDGYRNWFUSBV-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.55
Rot. Bonds4

About 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine

6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine (PubChem CID 103825810) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
PubChem CID103825810
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
SMILESCSc1ccc(CNc2ccc(F)nc2)cc1
InChIInChI=1S/C13H13FN2S/c1-17-12-5-2-10(3-6-12)8-15-11-4-7-13(14)16-9-11/h2-7,9,15H,8H2,1H3
InChIKeyGMQDGYRNWFUSBV-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
CID 103825772
3,4-difluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 29267990
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
CID 155819299
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
CID 103934256
4-chloro-3-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43721327
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
N-[(4-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979250
N-[(4-methylsulfanylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694138
N-[(4-methylsulfanylphenyl)methyl]-4-propoxyaniline
CID 62327458
4-(1H-imidazol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43722371
N-[(3-bromo-4-methoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825840

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine (CID 103825810) is 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine is CSc1ccc(CNc2ccc(F)nc2)cc1.
What is the InChIKey of 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
The InChIKey is GMQDGYRNWFUSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c1-17-12-5-2-10(3-6-12)8-15-11-4-7-13(14)16-9-11/h2-7,9,15H,8H2,1H3.
What are the key properties of 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine?
6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine has a molecular weight of 248.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 103825810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).