2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium

C36H63ClI4N15O5V- — CID 159505018

IUPAC2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium
SMILESC.CC(I)(I)I.CN1CCN(c2nccc(N)c2N)CC1.CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1.CN1CCNCC1.CO.C[CH-]I.Nc1ccnc(Cl)c1[N+](=O)[O-].[V]
InChIInChI=1S/C10H15N5O2.C10H17N5.C5H4ClN3O2.C5H12N2.C2H3I3.C2H4I.CH4O.CH4.V/c1-13-4-6-14(7-5-13)10-9(15(16)17)8(11)2-3-12-10;1-14-4-6-15(7-5-14)10-9(12)8(11)2-3-13-10;6-5-4(9(10)11)3(7)1-2-8-5;1-7-4-2-6-3-5-7;1-2(3,4)5;1-2-3;1-2;;/h2-3H,4-7H2,1H3,(H2,11,12);2-3H,4-7,12H2,1H3,(H2,11,13);1-2H,(H2,7,8);6H,2-5H2,1H3;1H3;2H,1H3;2H,1H3;1H4;/q;;;;;-1;;;
InChIKeyFLRHYRMBDZBUSZ-UHFFFAOYSA-N
MW1380.01 g/mol
LogP5.88
Rot. Bonds4

About 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium

2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium (PubChem CID 159505018) has the molecular formula C36H63ClI4N15O5V- and a molecular weight of 1380.01 g/mol. Its IUPAC name is 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium.

Molecular Properties

Compound Name2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium
PubChem CID159505018
Molecular FormulaC36H63ClI4N15O5V-
Molecular Weight1380.01 g/mol
Exact Mass1379.04
IUPAC Name2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium
SMILESC.CC(I)(I)I.CN1CCN(c2nccc(N)c2N)CC1.CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1.CN1CCNCC1.CO.C[CH-]I.Nc1ccnc(Cl)c1[N+](=O)[O-].[V]
InChIInChI=1S/C10H15N5O2.C10H17N5.C5H4ClN3O2.C5H12N2.C2H3I3.C2H4I.CH4O.CH4.V/c1-13-4-6-14(7-5-13)10-9(15(16)17)8(11)2-3-12-10;1-14-4-6-15(7-5-14)10-9(12)8(11)2-3-13-10;6-5-4(9(10)11)3(7)1-2-8-5;1-7-4-2-6-3-5-7;1-2(3,4)5;1-2-3;1-2;;/h2-3H,4-7H2,1H3,(H2,11,12);2-3H,4-7,12H2,1H3,(H2,11,13);1-2H,(H2,7,8);6H,2-5H2,1H3;1H3;2H,1H3;2H,1H3;1H4;/q;;;;;-1;;;
InChIKeyFLRHYRMBDZBUSZ-UHFFFAOYSA-N
XLogP5.88
TPSA277.49 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms62
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001380.01
LogP ≤ 55.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium?
The IUPAC name of 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium (CID 159505018) is 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium.
What is the SMILES notation for 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium?
The canonical SMILES for 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium is C.CC(I)(I)I.CN1CCN(c2nccc(N)c2N)CC1.CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1.CN1CCNCC1.CO.C[CH-]I.Nc1ccnc(Cl)c1[N+](=O)[O-].[V].
What is the InChIKey of 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium?
The InChIKey is FLRHYRMBDZBUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2.C10H17N5.C5H4ClN3O2.C5H12N2.C2H3I3.C2H4I.CH4O.CH4.V/c1-13-4-6-14(7-5-13)10-9(15(16)17)8(11)2-3-12-10;1-14-4-6-15(7-5-14)10-9(12)8(11)2-3-13-10;6-5-4(9(10)11)3(7)1-2-8-5;1-7-4-2-6-3-5-7;1-2(3,4)5;1-2-3;1-2;;/h2-3H,4-7H2,1H3,(H2,11,12);2-3H,4-7,12H2,1H3,(H2,11,13);1-2H,(H2,7,8);6H,2-5H2,1H3;1H3;2H,1H3;2H,1H3;1H4;/q;;;;;-1;;;.
What are the key properties of 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium?
2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium has a molecular weight of 1380.01 g/mol, XLogP of 5.88, 4 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitropyridin-4-amine;iodoethane;methane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;1,1,1-triiodoethane;vanadium is sourced from PubChem (CID 159505018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).