6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide

C13H12BrFN4O2 — CID 103483857

IUPAC6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2cc(F)c(Br)cc2N)nn1
InChIInChI=1S/C13H12BrFN4O2/c1-2-17-13(20)10-3-4-12(19-18-10)21-11-6-8(15)7(14)5-9(11)16/h3-6H,2,16H2,1H3,(H,17,20)
InChIKeyOZJFSSZWKZJLFS-UHFFFAOYSA-N
MW355.17 g/mol
LogP2.50
Rot. Bonds4

About 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide

6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide (PubChem CID 103483857) has the molecular formula C13H12BrFN4O2 and a molecular weight of 355.17 g/mol. Its IUPAC name is 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide
PubChem CID103483857
Molecular FormulaC13H12BrFN4O2
Molecular Weight355.17 g/mol
Exact Mass354.01
IUPAC Name6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2cc(F)c(Br)cc2N)nn1
InChIInChI=1S/C13H12BrFN4O2/c1-2-17-13(20)10-3-4-12(19-18-10)21-11-6-8(15)7(14)5-9(11)16/h3-6H,2,16H2,1H3,(H,17,20)
InChIKeyOZJFSSZWKZJLFS-UHFFFAOYSA-N
XLogP2.50
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-methoxypyridazine-3-carboxamide
CID 90509402
2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
3-[6-(ethylcarbamoyl)pyridazin-3-yl]oxypyridine-4-carboxylic acid
CID 81437555
methyl 4-(2-amino-4-bromo-5-fluorophenoxy)pyrimidine-2-carboxylate
CID 103483878
4-(2-amino-4-bromo-5-fluorophenoxy)pyridine-2-carboxamide
CID 103483894
5-bromo-2-[(5-tert-butyl-2-pyridinyl)oxy]-4-fluoroaniline
CID 107875013
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
CID 102702984
3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
CID 82990981
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
6-(5-bromo-2-fluorophenoxy)pyridazine-3-carboxylic acid
CID 114672035

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide (CID 103483857) is 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide is CCNC(=O)c1ccc(Oc2cc(F)c(Br)cc2N)nn1.
What is the InChIKey of 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide?
The InChIKey is OZJFSSZWKZJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O2/c1-2-17-13(20)10-3-4-12(19-18-10)21-11-6-8(15)7(14)5-9(11)16/h3-6H,2,16H2,1H3,(H,17,20).
What are the key properties of 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide?
6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide has a molecular weight of 355.17 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-bromo-5-fluorophenoxy)-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 103483857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).