5-nitro-6-pentylsulfanylpyridin-2-amine

C10H15N3O2S — CID 107765410

IUPAC5-nitro-6-pentylsulfanylpyridin-2-amine
SMILESCCCCCSc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2S/c1-2-3-4-7-16-10-8(13(14)15)5-6-9(11)12-10/h5-6H,2-4,7H2,1H3,(H2,11,12)
InChIKeyIYFDFCVSKQRIAO-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.85
Rot. Bonds6

About 5-nitro-6-pentylsulfanylpyridin-2-amine

5-nitro-6-pentylsulfanylpyridin-2-amine (PubChem CID 107765410) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-nitro-6-pentylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-pentylsulfanylpyridin-2-amine
PubChem CID107765410
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-nitro-6-pentylsulfanylpyridin-2-amine
SMILESCCCCCSc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2S/c1-2-3-4-7-16-10-8(13(14)15)5-6-9(11)12-10/h5-6H,2-4,7H2,1H3,(H2,11,12)
InChIKeyIYFDFCVSKQRIAO-UHFFFAOYSA-N
XLogP2.85
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
6-tert-butylsulfanyl-5-nitropyridin-2-amine
CID 80888606
3-nitro-2-octylsulfanylpyridine
CID 174979790
3-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 80891363
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423
3-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 81136184
2-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 80885230
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
2-(3-chloropropylsulfanyl)-6-methoxy-3-nitropyridine
CID 115323207
N-ethyl-6-(3-methylbutylsulfanyl)-5-nitropyridin-2-amine
CID 107766034

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-pentylsulfanylpyridin-2-amine?
The IUPAC name of 5-nitro-6-pentylsulfanylpyridin-2-amine (CID 107765410) is 5-nitro-6-pentylsulfanylpyridin-2-amine.
What is the SMILES notation for 5-nitro-6-pentylsulfanylpyridin-2-amine?
The canonical SMILES for 5-nitro-6-pentylsulfanylpyridin-2-amine is CCCCCSc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-pentylsulfanylpyridin-2-amine?
The InChIKey is IYFDFCVSKQRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-3-4-7-16-10-8(13(14)15)5-6-9(11)12-10/h5-6H,2-4,7H2,1H3,(H2,11,12).
What are the key properties of 5-nitro-6-pentylsulfanylpyridin-2-amine?
5-nitro-6-pentylsulfanylpyridin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-pentylsulfanylpyridin-2-amine is sourced from PubChem (CID 107765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).