6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile

C19H14F2N4O2 — CID 133416340

IUPAC6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile
SMILESCOc1ccc(-c2cc(Nc3ccc(C#N)nn3)ccc2OC(F)F)cc1
InChIInChI=1S/C19H14F2N4O2/c1-26-15-6-2-12(3-7-15)16-10-13(4-8-17(16)27-19(20)21)23-18-9-5-14(11-22)24-25-18/h2-10,19H,1H3,(H,23,25)
InChIKeyHSMGPLGUNQOAJX-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.37
Rot. Bonds6

About 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile

6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile (PubChem CID 133416340) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile
PubChem CID133416340
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile
SMILESCOc1ccc(-c2cc(Nc3ccc(C#N)nn3)ccc2OC(F)F)cc1
InChIInChI=1S/C19H14F2N4O2/c1-26-15-6-2-12(3-7-15)16-10-13(4-8-17(16)27-19(20)21)23-18-9-5-14(11-22)24-25-18/h2-10,19H,1H3,(H,23,25)
InChIKeyHSMGPLGUNQOAJX-UHFFFAOYSA-N
XLogP4.37
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
CID 133418635
6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
CID 133418637
3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile
CID 133334072
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
CID 133392141
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
1-butyl-3-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]thiourea
CID 9213948
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
CID 46674438
6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile
CID 133431845
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728

Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile (CID 133416340) is 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile is COc1ccc(-c2cc(Nc3ccc(C#N)nn3)ccc2OC(F)F)cc1.
What is the InChIKey of 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile?
The InChIKey is HSMGPLGUNQOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c1-26-15-6-2-12(3-7-15)16-10-13(4-8-17(16)27-19(20)21)23-18-9-5-14(11-22)24-25-18/h2-10,19H,1H3,(H,23,25).
What are the key properties of 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile?
6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile has a molecular weight of 368.34 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133416340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).