2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid

C13H11N3O3 — CID 112555123

IUPAC2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O3/c17-12(18)7-9-3-1-2-4-11(9)16-13(19)10-5-6-14-15-8-10/h1-6,8H,7H2,(H,16,19)(H,17,18)
InChIKeyIUBNEMGGBAUUHG-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.36
Rot. Bonds4

About 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid

2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid (PubChem CID 112555123) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
PubChem CID112555123
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O3/c17-12(18)7-9-3-1-2-4-11(9)16-13(19)10-5-6-14-15-8-10/h1-6,8H,7H2,(H,16,19)(H,17,18)
InChIKeyIUBNEMGGBAUUHG-UHFFFAOYSA-N
XLogP1.36
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-[2-[(5-hydroxypyridine-3-carbonyl)amino]phenyl]acetic acid
CID 63849973
N-(2-phenylacetyl)pyridazine-4-carboxamide
CID 67616367
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
CID 107272370
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
2-[2-[(4-methylsulfanylbenzoyl)amino]phenyl]acetic acid
CID 62536865
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid (CID 112555123) is 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1ccnnc1.
What is the InChIKey of 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid?
The InChIKey is IUBNEMGGBAUUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12(18)7-9-3-1-2-4-11(9)16-13(19)10-5-6-14-15-8-10/h1-6,8H,7H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid?
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 112555123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).