3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine

C20H14ClF3N2 — CID 87511389

IUPAC3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(C2CC2)cc1
InChIInChI=1S/C20H14ClF3N2/c1-10-17(13-6-4-12(5-7-13)11-2-3-11)19(20(21)26-25-10)18-15(23)8-14(22)9-16(18)24/h4-9,11H,2-3H2,1H3
InChIKeyGJGVVUACSYFANK-UHFFFAOYSA-N
MW374.79 g/mol
LogP6.07
Rot. Bonds3

About 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine

3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 87511389) has the molecular formula C20H14ClF3N2 and a molecular weight of 374.79 g/mol. Its IUPAC name is 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID87511389
Molecular FormulaC20H14ClF3N2
Molecular Weight374.79 g/mol
Exact Mass374.08
IUPAC Name3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(C2CC2)cc1
InChIInChI=1S/C20H14ClF3N2/c1-10-17(13-6-4-12(5-7-13)11-2-3-11)19(20(21)26-25-10)18-15(23)8-14(22)9-16(18)24/h4-9,11H,2-3H2,1H3
InChIKeyGJGVVUACSYFANK-UHFFFAOYSA-N
XLogP6.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.79
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine (CID 87511389) is 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine is Cc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(C2CC2)cc1.
What is the InChIKey of 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is GJGVVUACSYFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2/c1-10-17(13-6-4-12(5-7-13)11-2-3-11)19(20(21)26-25-10)18-15(23)8-14(22)9-16(18)24/h4-9,11H,2-3H2,1H3.
What are the key properties of 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine?
3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 374.79 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 87511389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).