N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide

C17H12BrFN4O — CID 109128353

IUPACN-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C17H12BrFN4O/c18-11-5-7-12(8-6-11)20-17(24)15-9-10-16(23-22-15)21-14-4-2-1-3-13(14)19/h1-10H,(H,20,24)(H,21,23)
InChIKeyNHBQEZPAXNEPQY-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

About N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide

N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109128353) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109128353
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC NameN-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C17H12BrFN4O/c18-11-5-7-12(8-6-11)20-17(24)15-9-10-16(23-22-15)21-14-4-2-1-3-13(14)19/h1-10H,(H,20,24)(H,21,23)
InChIKeyNHBQEZPAXNEPQY-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128394
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128469
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
4-bromo-N-[5-(2-fluoroanilino)-2-pyridinyl]benzamide
CID 113032990
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide (CID 109128353) is N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is NHBQEZPAXNEPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-11-5-7-12(8-6-11)20-17(24)15-9-10-16(23-22-15)21-14-4-2-1-3-13(14)19/h1-10H,(H,20,24)(H,21,23).
What are the key properties of N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide?
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 387.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).