3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium

C20H32Br2N3O2V- — CID 158144771

IUPAC3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium
SMILESCC(C)=O.CC(C)Cc1cncc(Br)c1.CO.Nc1cncc(Br)c1.[CH2-]C.[V]
InChIInChI=1S/C9H12BrN.C5H5BrN2.C3H6O.C2H5.CH4O.V/c1-7(2)3-8-4-9(10)6-11-5-8;6-4-1-5(7)3-8-2-4;1-3(2)4;2*1-2;/h4-7H,3H2,1-2H3;1-3H,7H2;1-2H3;1H2,2H3;2H,1H3;/q;;;-1;;
InChIKeyIXXDMOWUSPTCFB-UHFFFAOYSA-N
MW557.25 g/mol
LogP5.51
Rot. Bonds2

About 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium

3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium (PubChem CID 158144771) has the molecular formula C20H32Br2N3O2V- and a molecular weight of 557.25 g/mol. Its IUPAC name is 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium.

Molecular Properties

Compound Name3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium
PubChem CID158144771
Molecular FormulaC20H32Br2N3O2V-
Molecular Weight557.25 g/mol
Exact Mass555.03
IUPAC Name3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium
SMILESCC(C)=O.CC(C)Cc1cncc(Br)c1.CO.Nc1cncc(Br)c1.[CH2-]C.[V]
InChIInChI=1S/C9H12BrN.C5H5BrN2.C3H6O.C2H5.CH4O.V/c1-7(2)3-8-4-9(10)6-11-5-8;6-4-1-5(7)3-8-2-4;1-3(2)4;2*1-2;/h4-7H,3H2,1-2H3;1-3H,7H2;1-2H3;1H2,2H3;2H,1H3;/q;;;-1;;
InChIKeyIXXDMOWUSPTCFB-UHFFFAOYSA-N
XLogP5.51
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.25
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium?
The IUPAC name of 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium (CID 158144771) is 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium.
What is the SMILES notation for 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium?
The canonical SMILES for 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium is CC(C)=O.CC(C)Cc1cncc(Br)c1.CO.Nc1cncc(Br)c1.[CH2-]C.[V].
What is the InChIKey of 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium?
The InChIKey is IXXDMOWUSPTCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.C5H5BrN2.C3H6O.C2H5.CH4O.V/c1-7(2)3-8-4-9(10)6-11-5-8;6-4-1-5(7)3-8-2-4;1-3(2)4;2*1-2;/h4-7H,3H2,1-2H3;1-3H,7H2;1-2H3;1H2,2H3;2H,1H3;/q;;;-1;;.
What are the key properties of 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium?
3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium has a molecular weight of 557.25 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;ethane;methanol;propan-2-one;vanadium is sourced from PubChem (CID 158144771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).