3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol

C18H14ClF3N4O — CID 155284866

IUPAC3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1ncccc1CNc1ccc(-c2c(O)cc(C(F)(F)F)cc2Cl)nn1
InChIInChI=1S/C18H14ClF3N4O/c1-10-11(3-2-6-23-10)9-24-16-5-4-14(25-26-16)17-13(19)7-12(8-15(17)27)18(20,21)22/h2-8,27H,9H2,1H3,(H,24,26)
InChIKeyFXACYJIQWQIAKW-UHFFFAOYSA-N
MW394.78 g/mol
LogP4.84
Rot. Bonds4

About 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol

3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 155284866) has the molecular formula C18H14ClF3N4O and a molecular weight of 394.78 g/mol. Its IUPAC name is 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID155284866
Molecular FormulaC18H14ClF3N4O
Molecular Weight394.78 g/mol
Exact Mass394.08
IUPAC Name3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1ncccc1CNc1ccc(-c2c(O)cc(C(F)(F)F)cc2Cl)nn1
InChIInChI=1S/C18H14ClF3N4O/c1-10-11(3-2-6-23-10)9-24-16-5-4-14(25-26-16)17-13(19)7-12(8-15(17)27)18(20,21)22/h2-8,27H,9H2,1H3,(H,24,26)
InChIKeyFXACYJIQWQIAKW-UHFFFAOYSA-N
XLogP4.84
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 155284866) is 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1ncccc1CNc1ccc(-c2c(O)cc(C(F)(F)F)cc2Cl)nn1.
What is the InChIKey of 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is FXACYJIQWQIAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O/c1-10-11(3-2-6-23-10)9-24-16-5-4-14(25-26-16)17-13(19)7-12(8-15(17)27)18(20,21)22/h2-8,27H,9H2,1H3,(H,24,26).
What are the key properties of 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol?
3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 394.78 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[6-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).