2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine

C38H38BrClF2N8 — CID 162081664

IUPAC2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine
SMILESBrc1ccccn1.CC(C)(CNc1ccc(-c2ccccn2)nn1)c1ccc(F)cc1.CC(C)(CNc1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4.C14H15ClFN3.C5H4BrN/c1-19(2,14-6-8-15(20)9-7-14)13-22-18-11-10-17(23-24-18)16-5-3-4-12-21-16;1-14(2,10-3-5-11(16)6-4-10)9-17-13-8-7-12(15)18-19-13;6-5-3-1-2-4-7-5/h3-12H,13H2,1-2H3,(H,22,24);3-8H,9H2,1-2H3,(H,17,19);1-4H
InChIKeyZCKRLIQJEHZUMC-UHFFFAOYSA-N
MW760.13 g/mol
LogP9.57
Rot. Bonds9

About 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine

2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine (PubChem CID 162081664) has the molecular formula C38H38BrClF2N8 and a molecular weight of 760.13 g/mol. Its IUPAC name is 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine
PubChem CID162081664
Molecular FormulaC38H38BrClF2N8
Molecular Weight760.13 g/mol
Exact Mass758.21
IUPAC Name2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine
SMILESBrc1ccccn1.CC(C)(CNc1ccc(-c2ccccn2)nn1)c1ccc(F)cc1.CC(C)(CNc1ccc(Cl)nn1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4.C14H15ClFN3.C5H4BrN/c1-19(2,14-6-8-15(20)9-7-14)13-22-18-11-10-17(23-24-18)16-5-3-4-12-21-16;1-14(2,10-3-5-11(16)6-4-10)9-17-13-8-7-12(15)18-19-13;6-5-3-1-2-4-7-5/h3-12H,13H2,1-2H3,(H,22,24);3-8H,9H2,1-2H3,(H,17,19);1-4H
InChIKeyZCKRLIQJEHZUMC-UHFFFAOYSA-N
XLogP9.57
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.13
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(3-isocyanophenyl)pyridazin-3-amine
CID 140812284
6-(2-amino-1H-imidazol-5-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-(2-methyl-1H-imidazol-5-yl)pyridazin-3-amine
CID 158008180
6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;(4-fluoro-3-isocyanophenyl)boronic acid;6-(4-fluoro-3-isocyanophenyl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
CID 157365795
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 70975125
6-ethenyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
CID 67451769
N-(2-methyl-2-phenylpropyl)pyridin-2-amine
CID 60970281
2-fluoro-5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzonitrile
CID 67452272
N'-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 116970430
6-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-triazin-3-amine
CID 118368939
N',N'-dimethyl-N-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 130251282
6-(1-amino-3-ethyl-2H-imidazol-4-yl)-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine
CID 142791172
5-[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]-3H-1-benzofuran-2-one
CID 147353801

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine?
The IUPAC name of 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine (CID 162081664) is 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine.
What is the SMILES notation for 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine?
The canonical SMILES for 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine is Brc1ccccn1.CC(C)(CNc1ccc(-c2ccccn2)nn1)c1ccc(F)cc1.CC(C)(CNc1ccc(Cl)nn1)c1ccc(F)cc1.
What is the InChIKey of 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine?
The InChIKey is ZCKRLIQJEHZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4.C14H15ClFN3.C5H4BrN/c1-19(2,14-6-8-15(20)9-7-14)13-22-18-11-10-17(23-24-18)16-5-3-4-12-21-16;1-14(2,10-3-5-11(16)6-4-10)9-17-13-8-7-12(15)18-19-13;6-5-3-1-2-4-7-5/h3-12H,13H2,1-2H3,(H,22,24);3-8H,9H2,1-2H3,(H,17,19);1-4H.
What are the key properties of 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine?
2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine has a molecular weight of 760.13 g/mol, XLogP of 9.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;6-chloro-N-[2-(4-fluorophenyl)-2-methylpropyl]pyridazin-3-amine;N-[2-(4-fluorophenyl)-2-methylpropyl]-6-pyridin-2-ylpyridazin-3-amine is sourced from PubChem (CID 162081664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).