6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid

C12H7ClF3N3O2 — CID 60791798

IUPAC6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nn1
InChIInChI=1S/C12H7ClF3N3O2/c13-7-2-1-6(12(14,15)16)5-9(7)17-10-4-3-8(11(20)21)18-19-10/h1-5H,(H,17,19)(H,20,21)
InChIKeyQFOFHPZLEQULOM-UHFFFAOYSA-N
MW317.65 g/mol
LogP3.59
Rot. Bonds3

About 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid

6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid (PubChem CID 60791798) has the molecular formula C12H7ClF3N3O2 and a molecular weight of 317.65 g/mol. Its IUPAC name is 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
PubChem CID60791798
Molecular FormulaC12H7ClF3N3O2
Molecular Weight317.65 g/mol
Exact Mass317.02
IUPAC Name6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nn1
InChIInChI=1S/C12H7ClF3N3O2/c13-7-2-1-6(12(14,15)16)5-9(7)17-10-4-3-8(11(20)21)18-19-10/h1-5H,(H,17,19)(H,20,21)
InChIKeyQFOFHPZLEQULOM-UHFFFAOYSA-N
XLogP3.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.65
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062553
2-[[2-chloro-5-(trifluoromethyl)anilino]methylidene]propanedioic acid
CID 67452303
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
[6-[2-chloro-5-(trifluoromethyl)anilino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363729
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064686
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109152093
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113270
6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341522
4-[[5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 22541316
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid (CID 60791798) is 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid is O=C(O)c1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nn1.
What is the InChIKey of 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
The InChIKey is QFOFHPZLEQULOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O2/c13-7-2-1-6(12(14,15)16)5-9(7)17-10-4-3-8(11(20)21)18-19-10/h1-5H,(H,17,19)(H,20,21).
What are the key properties of 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid?
6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid has a molecular weight of 317.65 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).