2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium

C34H57ClI6N15O5V- — CID 158736584

IUPAC2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium
SMILESCN1CCN(c2nccc(N)c2N)CC1.CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1.CN1CCNCC1.CO.IC(I)I.ICI.Nc1ccnc(Cl)c1[N+](=O)[O-].[CH2-]I.[V]
InChIInChI=1S/C10H15N5O2.C10H17N5.C5H4ClN3O2.C5H12N2.CHI3.CH2I2.CH2I.CH4O.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;2-1(3)4;2-1-3;2*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;1H;1H2;1H2;2H,1H3;/q;;;;;;-1;;
InChIKeyIWFARNFEZDPGCK-UHFFFAOYSA-N
MW1603.75 g/mol
LogP6.28
Rot. Bonds4

About 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium

2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium (PubChem CID 158736584) has the molecular formula C34H57ClI6N15O5V- and a molecular weight of 1603.75 g/mol. Its IUPAC name is 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium.

Molecular Properties

Compound Name2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium
PubChem CID158736584
Molecular FormulaC34H57ClI6N15O5V-
Molecular Weight1603.75 g/mol
Exact Mass1602.81
IUPAC Name2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium
SMILESCN1CCN(c2nccc(N)c2N)CC1.CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1.CN1CCNCC1.CO.IC(I)I.ICI.Nc1ccnc(Cl)c1[N+](=O)[O-].[CH2-]I.[V]
InChIInChI=1S/C10H15N5O2.C10H17N5.C5H4ClN3O2.C5H12N2.CHI3.CH2I2.CH2I.CH4O.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;2-1(3)4;2-1-3;2*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;1H;1H2;1H2;2H,1H3;/q;;;;;;-1;;
InChIKeyIWFARNFEZDPGCK-UHFFFAOYSA-N
XLogP6.28
TPSA277.49 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms62
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001603.75
LogP ≤ 56.28
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'}

Analyze 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium?
The IUPAC name of 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium (CID 158736584) is 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium.
What is the SMILES notation for 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium?
The canonical SMILES for 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium is CN1CCN(c2nccc(N)c2N)CC1.CN1CCN(c2nccc(N)c2[N+](=O)[O-])CC1.CN1CCNCC1.CO.IC(I)I.ICI.Nc1ccnc(Cl)c1[N+](=O)[O-].[CH2-]I.[V].
What is the InChIKey of 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium?
The InChIKey is IWFARNFEZDPGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2.C10H17N5.C5H4ClN3O2.C5H12N2.CHI3.CH2I2.CH2I.CH4O.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;2-1(3)4;2-1-3;2*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;1H;1H2;1H2;2H,1H3;/q;;;;;;-1;;.
What are the key properties of 2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium?
2-chloro-3-nitropyridin-4-amine;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium has a molecular weight of 1603.75 g/mol, XLogP of 6.28, 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;diiodomethane;iodoform;iodomethane;methanol;1-methylpiperazine;2-(4-methylpiperazin-1-yl)-3-nitropyridin-4-amine;2-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;vanadium is sourced from PubChem (CID 158736584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).