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

C17H12BrFN4O — CID 109130088

IUPACN-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)21-17(24)15-8-9-16(23-22-15)20-12-5-3-4-11(19)10-12/h1-10H,(H,20,23)(H,21,24)
InChIKeyPENMHZDOJFJQBT-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

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

N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109130088) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109130088
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC NameN-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)21-17(24)15-8-9-16(23-22-15)20-12-5-3-4-11(19)10-12/h1-10H,(H,20,23)(H,21,24)
InChIKeyPENMHZDOJFJQBT-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-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359671
5-(2-bromoanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109294334
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide (CID 109130088) is N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide is O=C(Nc1ccccc1Br)c1ccc(Nc2cccc(F)c2)nn1.
What is the InChIKey of N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is PENMHZDOJFJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-13-6-1-2-7-14(13)21-17(24)15-8-9-16(23-22-15)20-12-5-3-4-11(19)10-12/h1-10H,(H,20,23)(H,21,24).
What are the key properties of N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
N-(2-bromophenyl)-6-(3-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-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109130088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).