(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone

C12H7F3N2O2 — CID 103373289

IUPAC(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C12H7F3N2O2/c1-19-9-5-4-8(16-17-9)12(18)6-2-3-7(13)11(15)10(6)14/h2-5H,1H3
InChIKeyXIFWLHHMFLEULS-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.13
Rot. Bonds3

About (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone

(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 103373289) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID103373289
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C12H7F3N2O2/c1-19-9-5-4-8(16-17-9)12(18)6-2-3-7(13)11(15)10(6)14/h2-5H,1H3
InChIKeyXIFWLHHMFLEULS-UHFFFAOYSA-N
XLogP2.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(6-methoxypyridazin-3-yl)-phenylmethanone
CID 10242336
(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
CID 103373214
furan-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373290
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(6-methoxypyridazin-3-yl)-(2-propoxyphenyl)methanone
CID 103373209
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(6-methoxypyridazin-3-yl)-(4-propylphenyl)methanone
CID 103373224
(6-methoxypyridazin-3-yl)-(3-methoxy-2-pyridinyl)methanone
CID 114053733

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone (CID 103373289) is (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone is COc1ccc(C(=O)c2ccc(F)c(F)c2F)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is XIFWLHHMFLEULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c1-19-9-5-4-8(16-17-9)12(18)6-2-3-7(13)11(15)10(6)14/h2-5H,1H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone?
(6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 268.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 103373289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).