ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)

C9H10F3N2ORb — CID 143617680

IUPACethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)
SMILESCC.[NH-]c1nc(C(F)(F)F)ccc1C=O.[Rb+]
InChIInChI=1S/C7H5F3N2O.C2H6.Rb/c8-7(9,10)5-2-1-4(3-13)6(11)12-5;1-2;/h1-3H,(H2,11,12,13);1-2H3;/q;;+1/p-1
InChIKeySYWHCWMPYYZAIM-UHFFFAOYSA-M
MW304.65 g/mol
LogP0.63
Rot. Bonds1

About ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)

ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+) (PubChem CID 143617680) has the molecular formula C9H10F3N2ORb and a molecular weight of 304.65 g/mol. Its IUPAC name is ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+).

Molecular Properties

Compound Nameethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)
PubChem CID143617680
Molecular FormulaC9H10F3N2ORb
Molecular Weight304.65 g/mol
Exact Mass303.99
IUPAC Nameethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)
SMILESCC.[NH-]c1nc(C(F)(F)F)ccc1C=O.[Rb+]
InChIInChI=1S/C7H5F3N2O.C2H6.Rb/c8-7(9,10)5-2-1-4(3-13)6(11)12-5;1-2;/h1-3H,(H2,11,12,13);1-2H3;/q;;+1/p-1
InChIKeySYWHCWMPYYZAIM-UHFFFAOYSA-M
XLogP0.63
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.65
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910
2-(2-Fluoro-phenyl)-7-methyl-[1,8]naphthyridin-4-ol
CID 10538858
2,6-Diamino-3-pyridinecarboxaldehyde
CID 10877178
2-Amino-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 12691493
2,6-Dimethylnicotinaldehyde
CID 2784753
2-Amino-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 11600820
2-Amino-6-methylnicotinaldehyde
CID 53401030
2-Ethyl-6-trifluoromethyl-pyridine-3-carbaldehyde
CID 86625534

Frequently Asked Questions

What is the IUPAC name of ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)?
The IUPAC name of ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+) (CID 143617680) is ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+).
What is the SMILES notation for ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)?
The canonical SMILES for ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+) is CC.[NH-]c1nc(C(F)(F)F)ccc1C=O.[Rb+].
What is the InChIKey of ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)?
The InChIKey is SYWHCWMPYYZAIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F3N2O.C2H6.Rb/c8-7(9,10)5-2-1-4(3-13)6(11)12-5;1-2;/h1-3H,(H2,11,12,13);1-2H3;/q;;+1/p-1.
What are the key properties of ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+)?
ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+) has a molecular weight of 304.65 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-formyl-6-(trifluoromethyl)-2-pyridinyl]azanide;rubidium(1+) is sourced from PubChem (CID 143617680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).