3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)

C35H39BrI6N14O6V2-2 — CID 159457700

IUPAC3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)
SMILESC.IC(I)I.ICI.Nc1c(-c2cccnc2)cncc1[N+](=O)[O-].Nc1c(Br)cncc1[N+](=O)[O-].Nc1ccncc1[N+](=O)[O-].Nc1cncc(-c2cccnc2)c1N.[CH2-]I.[CH3-].[V].[V]
InChIInChI=1S/C10H8N4O2.C10H10N4.C5H4BrN3O2.C5H5N3O2.CHI3.CH2I2.CH2I.CH4.CH3.2V/c11-10-8(7-2-1-3-12-4-7)5-13-6-9(10)14(15)16;11-9-6-14-5-8(10(9)12)7-2-1-3-13-4-7;6-3-1-8-2-4(5(3)7)9(10)11;6-4-1-2-7-3-5(4)8(9)10;2-1(3)4;2-1-3;1-2;;;;/h1-6H,(H2,11,13);1-6H,11H2,(H2,12,14);1-2H,(H2,7,8);1-3H,(H2,6,7);1H;1H2;1H2;1H4;1H3;;/q;;;;;;-1;;-1;;
InChIKeyALMTUXHMOCXQBH-UHFFFAOYSA-N
MW1695.01 g/mol
LogP11.53
Rot. Bonds5

About 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)

3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium) (PubChem CID 159457700) has the molecular formula C35H39BrI6N14O6V2-2 and a molecular weight of 1695.01 g/mol. Its IUPAC name is 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium).

Molecular Properties

Compound Name3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)
PubChem CID159457700
Molecular FormulaC35H39BrI6N14O6V2-2
Molecular Weight1695.01 g/mol
Exact Mass1693.55
IUPAC Name3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)
SMILESC.IC(I)I.ICI.Nc1c(-c2cccnc2)cncc1[N+](=O)[O-].Nc1c(Br)cncc1[N+](=O)[O-].Nc1ccncc1[N+](=O)[O-].Nc1cncc(-c2cccnc2)c1N.[CH2-]I.[CH3-].[V].[V]
InChIInChI=1S/C10H8N4O2.C10H10N4.C5H4BrN3O2.C5H5N3O2.CHI3.CH2I2.CH2I.CH4.CH3.2V/c11-10-8(7-2-1-3-12-4-7)5-13-6-9(10)14(15)16;11-9-6-14-5-8(10(9)12)7-2-1-3-13-4-7;6-3-1-8-2-4(5(3)7)9(10)11;6-4-1-2-7-3-5(4)8(9)10;2-1(3)4;2-1-3;1-2;;;;/h1-6H,(H2,11,13);1-6H,11H2,(H2,12,14);1-2H,(H2,7,8);1-3H,(H2,6,7);1H;1H2;1H2;1H4;1H3;;/q;;;;;;-1;;-1;;
InChIKeyALMTUXHMOCXQBH-UHFFFAOYSA-N
XLogP11.53
TPSA336.86 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.01
LogP ≤ 511.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)?
The IUPAC name of 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium) (CID 159457700) is 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium).
What is the SMILES notation for 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)?
The canonical SMILES for 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium) is C.IC(I)I.ICI.Nc1c(-c2cccnc2)cncc1[N+](=O)[O-].Nc1c(Br)cncc1[N+](=O)[O-].Nc1ccncc1[N+](=O)[O-].Nc1cncc(-c2cccnc2)c1N.[CH2-]I.[CH3-].[V].[V].
What is the InChIKey of 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)?
The InChIKey is ALMTUXHMOCXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2.C10H10N4.C5H4BrN3O2.C5H5N3O2.CHI3.CH2I2.CH2I.CH4.CH3.2V/c11-10-8(7-2-1-3-12-4-7)5-13-6-9(10)14(15)16;11-9-6-14-5-8(10(9)12)7-2-1-3-13-4-7;6-3-1-8-2-4(5(3)7)9(10)11;6-4-1-2-7-3-5(4)8(9)10;2-1(3)4;2-1-3;1-2;;;;/h1-6H,(H2,11,13);1-6H,11H2,(H2,12,14);1-2H,(H2,7,8);1-3H,(H2,6,7);1H;1H2;1H2;1H4;1H3;;/q;;;;;;-1;;-1;;.
What are the key properties of 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium)?
3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium) has a molecular weight of 1695.01 g/mol, XLogP of 11.53, 5 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitropyridin-4-amine;carbanide;diiodomethane;iodoform;iodomethane;methane;3-nitropyridin-4-amine;3-nitro-5-pyridin-3-ylpyridin-4-amine;5-pyridin-3-ylpyridine-3,4-diamine;bis(vanadium) is sourced from PubChem (CID 159457700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).