6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine

C12H10FN3O2S — CID 107349608

IUPAC6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2cccc([N+](=O)[O-])c2F)nc1
InChIInChI=1S/C12H10FN3O2S/c13-12-8(2-1-3-10(12)16(17)18)7-19-11-5-4-9(14)6-15-11/h1-6H,7,14H2
InChIKeyMOYIEMHTQGLJCJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.00
Rot. Bonds4

About 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine

6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 107349608) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID107349608
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCc2cccc([N+](=O)[O-])c2F)nc1
InChIInChI=1S/C12H10FN3O2S/c13-12-8(2-1-3-10(12)16(17)18)7-19-11-5-4-9(14)6-15-11/h1-6H,7,14H2
InChIKeyMOYIEMHTQGLJCJ-UHFFFAOYSA-N
XLogP3.00
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 107349644
2-benzylsulfanyl-5-nitropyridine;6-benzylsulfanylpyridin-3-amine
CID 167555287
2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-4-methylpyrimidine
CID 107349702
(2-fluoro-3-nitrophenyl)methyl N'-aminocarbamimidothioate
CID 107353670
6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine
CID 15032611
6-[(4-methoxy-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43301452
5-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-3-methyl-1,2,4-thiadiazole
CID 107349734
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
CID 159928766
CID 159928766
[4-ethyl-5-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 107349621
3-fluoro-4-[(2-methyl-3-nitrophenyl)methylsulfanyl]aniline
CID 43509402
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine (CID 107349608) is 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine is Nc1ccc(SCc2cccc([N+](=O)[O-])c2F)nc1.
What is the InChIKey of 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is MOYIEMHTQGLJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c13-12-8(2-1-3-10(12)16(17)18)7-19-11-5-4-9(14)6-15-11/h1-6H,7,14H2.
What are the key properties of 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine?
6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 279.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 107349608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).