acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium

C67H65BBrF3N8O12Pd — CID 167573093

IUPACacetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium
SMILESC.CC(=O)O.CC(=O)O.COc1ccc(CN)cc1.COc1ccc(CNc2ccc3c(n2)Cc2ccccc2-3)cc1.Fc1ccc2c(n1)Cc1ccccc1-2.O=[N+]([O-])c1ccccc1-c1ccc(F)nc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccc(F)nc1.[Pd]
InChIInChI=1S/C20H18N2O.C12H8FN.C11H7FN2O2.C8H11NO.C6H4BrNO2.C5H5BFNO2.2C2H4O2.CH4.Pd/c1-23-16-8-6-14(7-9-16)13-21-20-11-10-18-17-5-3-2-4-15(17)12-19(18)22-20;13-12-6-5-10-9-4-2-1-3-8(9)7-11(10)14-12;12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14(15)16;1-10-8-4-2-7(6-9)3-5-8;7-5-3-1-2-4-6(5)8(9)10;7-5-2-1-4(3-8-5)6(9)10;2*1-2(3)4;;/h2-11H,12-13H2,1H3,(H,21,22);1-6H,7H2;1-7H;2-5H,6,9H2,1H3;1-4H;1-3,9-10H;2*1H3,(H,3,4);1H4;
InChIKeyJYUBPTJTWAPNIZ-UHFFFAOYSA-N
MW1428.43 g/mol
LogP13.09
Rot. Bonds10

About acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium

acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium (PubChem CID 167573093) has the molecular formula C67H65BBrF3N8O12Pd and a molecular weight of 1428.43 g/mol. Its IUPAC name is acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium.

Molecular Properties

Compound Nameacetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium
PubChem CID167573093
Molecular FormulaC67H65BBrF3N8O12Pd
Molecular Weight1428.43 g/mol
Exact Mass1426.30
IUPAC Nameacetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium
SMILESC.CC(=O)O.CC(=O)O.COc1ccc(CN)cc1.COc1ccc(CNc2ccc3c(n2)Cc2ccccc2-3)cc1.Fc1ccc2c(n1)Cc1ccccc1-2.O=[N+]([O-])c1ccccc1-c1ccc(F)nc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccc(F)nc1.[Pd]
InChIInChI=1S/C20H18N2O.C12H8FN.C11H7FN2O2.C8H11NO.C6H4BrNO2.C5H5BFNO2.2C2H4O2.CH4.Pd/c1-23-16-8-6-14(7-9-16)13-21-20-11-10-18-17-5-3-2-4-15(17)12-19(18)22-20;13-12-6-5-10-9-4-2-1-3-8(9)7-11(10)14-12;12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14(15)16;1-10-8-4-2-7(6-9)3-5-8;7-5-3-1-2-4-6(5)8(9)10;7-5-2-1-4(3-8-5)6(9)10;2*1-2(3)4;;/h2-11H,12-13H2,1H3,(H,21,22);1-6H,7H2;1-7H;2-5H,6,9H2,1H3;1-4H;1-3,9-10H;2*1H3,(H,3,4);1H4;
InChIKeyJYUBPTJTWAPNIZ-UHFFFAOYSA-N
XLogP13.09
TPSA309.41 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001428.43
LogP ≤ 513.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium 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

5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 159409608
1-bromo-2-nitrobenzene;2-chloro-9H-fluorene;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-2-nitrobenzene
CID 161458716
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
3-bromo-2-fluoro-N-[(4-methoxyphenyl)methyl]-6-nitroaniline
CID 169110480
[6-(benzylamino)-3-pyridinyl]boronic acid
CID 118734755
5-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 103802148
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-3-nitrobenzoate
CID 7795094
3-nitro-2-[(4-phenylphenyl)methylamino]benzoic acid
CID 67803280
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium?
The IUPAC name of acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium (CID 167573093) is acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium.
What is the SMILES notation for acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium?
The canonical SMILES for acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium is C.CC(=O)O.CC(=O)O.COc1ccc(CN)cc1.COc1ccc(CNc2ccc3c(n2)Cc2ccccc2-3)cc1.Fc1ccc2c(n1)Cc1ccccc1-2.O=[N+]([O-])c1ccccc1-c1ccc(F)nc1.O=[N+]([O-])c1ccccc1Br.OB(O)c1ccc(F)nc1.[Pd].
What is the InChIKey of acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium?
The InChIKey is JYUBPTJTWAPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O.C12H8FN.C11H7FN2O2.C8H11NO.C6H4BrNO2.C5H5BFNO2.2C2H4O2.CH4.Pd/c1-23-16-8-6-14(7-9-16)13-21-20-11-10-18-17-5-3-2-4-15(17)12-19(18)22-20;13-12-6-5-10-9-4-2-1-3-8(9)7-11(10)14-12;12-11-6-5-8(7-13-11)9-3-1-2-4-10(9)14(15)16;1-10-8-4-2-7(6-9)3-5-8;7-5-3-1-2-4-6(5)8(9)10;7-5-2-1-4(3-8-5)6(9)10;2*1-2(3)4;;/h2-11H,12-13H2,1H3,(H,21,22);1-6H,7H2;1-7H;2-5H,6,9H2,1H3;1-4H;1-3,9-10H;2*1H3,(H,3,4);1H4;.
What are the key properties of acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium?
acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium has a molecular weight of 1428.43 g/mol, XLogP of 13.09, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-bromo-2-nitrobenzene;2-fluoro-9H-indeno[2,1-b]pyridine;2-fluoro-5-(2-nitrophenyl)pyridine;(6-fluoro-3-pyridinyl)boronic acid;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-9H-indeno[2,1-b]pyridin-2-amine;palladium is sourced from PubChem (CID 167573093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).