2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium

C85H93BrClI7N16O2V- — CID 160535708

IUPAC2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium
SMILESC.CC.CC#Cc1ncccc1N.CC(I)I.CCI.CCI.Cc1c(C(=O)CCl)c2ncccc2n1-c1ccc(C#N)cc1.Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(C#N)cc1.Cc1cc2ncccc2[nH]1.Cc1cc2ncccc2n1-c1ccc(C#N)cc1.I[V](I)I.Nc1cccnc1Br.[CH3-]
InChIInChI=1S/C22H22N4O.C17H12ClN3O.C15H11N3.2C8H8N2.C5H5BrN2.C2H4I2.2C2H5I.C2H6.CH4.CH3.3HI.V/c1-16-21(20(27)15-25-12-3-2-4-13-25)22-19(6-5-11-24-22)26(16)18-9-7-17(14-23)8-10-18;1-11-16(15(22)9-18)17-14(3-2-8-20-17)21(11)13-6-4-12(10-19)5-7-13;1-11-9-14-15(3-2-8-17-14)18(11)13-6-4-12(10-16)5-7-13;1-6-5-8-7(10-6)3-2-4-9-8;1-2-4-8-7(9)5-3-6-10-8;6-5-4(7)2-1-3-8-5;1-2(3)4;2*1-2-3;1-2;;;;;;/h5-11H,2-4,12-13,15H2,1H3;2-8H,9H2,1H3;2-9H,1H3;2-5,10H,1H3;3,5-6H,9H2,1H3;1-3H,7H2;2H,1H3;2*2H2,1H3;1-2H3;1H4;1H3;3*1H;/q;;;;;;;;;;;-1;;;;+3/p-3
InChIKeyMPGDCWFHXKLATA-UHFFFAOYSA-K
MW2425.42 g/mol
LogP24.89
Rot. Bonds8

About 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium

2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium (PubChem CID 160535708) has the molecular formula C85H93BrClI7N16O2V- and a molecular weight of 2425.42 g/mol. Its IUPAC name is 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium.

Molecular Properties

Compound Name2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium
PubChem CID160535708
Molecular FormulaC85H93BrClI7N16O2V-
Molecular Weight2425.42 g/mol
Exact Mass2422.93
IUPAC Name2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium
SMILESC.CC.CC#Cc1ncccc1N.CC(I)I.CCI.CCI.Cc1c(C(=O)CCl)c2ncccc2n1-c1ccc(C#N)cc1.Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(C#N)cc1.Cc1cc2ncccc2[nH]1.Cc1cc2ncccc2n1-c1ccc(C#N)cc1.I[V](I)I.Nc1cccnc1Br.[CH3-]
InChIInChI=1S/C22H22N4O.C17H12ClN3O.C15H11N3.2C8H8N2.C5H5BrN2.C2H4I2.2C2H5I.C2H6.CH4.CH3.3HI.V/c1-16-21(20(27)15-25-12-3-2-4-13-25)22-19(6-5-11-24-22)26(16)18-9-7-17(14-23)8-10-18;1-11-16(15(22)9-18)17-14(3-2-8-20-17)21(11)13-6-4-12(10-19)5-7-13;1-11-9-14-15(3-2-8-17-14)18(11)13-6-4-12(10-16)5-7-13;1-6-5-8-7(10-6)3-2-4-9-8;1-2-4-8-7(9)5-3-6-10-8;6-5-4(7)2-1-3-8-5;1-2(3)4;2*1-2-3;1-2;;;;;;/h5-11H,2-4,12-13,15H2,1H3;2-8H,9H2,1H3;2-9H,1H3;2-5,10H,1H3;3,5-6H,9H2,1H3;1-3H,7H2;2H,1H3;2*2H2,1H3;1-2H3;1H4;1H3;3*1H;/q;;;;;;;;;;;-1;;;;+3/p-3
InChIKeyMPGDCWFHXKLATA-UHFFFAOYSA-K
XLogP24.89
TPSA268.71 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002425.42
LogP ≤ 524.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium?
The IUPAC name of 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium (CID 160535708) is 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium.
What is the SMILES notation for 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium?
The canonical SMILES for 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium is C.CC.CC#Cc1ncccc1N.CC(I)I.CCI.CCI.Cc1c(C(=O)CCl)c2ncccc2n1-c1ccc(C#N)cc1.Cc1c(C(=O)CN2CCCCC2)c2ncccc2n1-c1ccc(C#N)cc1.Cc1cc2ncccc2[nH]1.Cc1cc2ncccc2n1-c1ccc(C#N)cc1.I[V](I)I.Nc1cccnc1Br.[CH3-].
What is the InChIKey of 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium?
The InChIKey is MPGDCWFHXKLATA-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H22N4O.C17H12ClN3O.C15H11N3.2C8H8N2.C5H5BrN2.C2H4I2.2C2H5I.C2H6.CH4.CH3.3HI.V/c1-16-21(20(27)15-25-12-3-2-4-13-25)22-19(6-5-11-24-22)26(16)18-9-7-17(14-23)8-10-18;1-11-16(15(22)9-18)17-14(3-2-8-20-17)21(11)13-6-4-12(10-19)5-7-13;1-11-9-14-15(3-2-8-17-14)18(11)13-6-4-12(10-16)5-7-13;1-6-5-8-7(10-6)3-2-4-9-8;1-2-4-8-7(9)5-3-6-10-8;6-5-4(7)2-1-3-8-5;1-2(3)4;2*1-2-3;1-2;;;;;;/h5-11H,2-4,12-13,15H2,1H3;2-8H,9H2,1H3;2-9H,1H3;2-5,10H,1H3;3,5-6H,9H2,1H3;1-3H,7H2;2H,1H3;2*2H2,1H3;1-2H3;1H4;1H3;3*1H;/q;;;;;;;;;;;-1;;;;+3/p-3.
What are the key properties of 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium?
2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium has a molecular weight of 2425.42 g/mol, XLogP of 24.89, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridin-3-amine;carbanide;4-[3-(2-chloroacetyl)-2-methylpyrrolo[3,2-b]pyridin-1-yl]benzonitrile;1,1-diiodoethane;ethane;iodoethane;methane;4-[2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile;2-methyl-1H-pyrrolo[3,2-b]pyridine;4-(2-methylpyrrolo[3,2-b]pyridin-1-yl)benzonitrile;2-prop-1-ynylpyridin-3-amine;triiodovanadium is sourced from PubChem (CID 160535708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).