6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine

C16H9ClF4N4 — CID 170666416

IUPAC6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2)c(C(F)(F)F)nn1
InChIInChI=1S/C16H9ClF4N4/c17-9-1-2-12(18)11(7-9)13-8-14(15(25-24-13)16(19,20)21)23-10-3-5-22-6-4-10/h1-8H,(H,22,23,24)
InChIKeyBZTPNTNVNNVBQX-UHFFFAOYSA-N
MW368.72 g/mol
LogP5.09
Rot. Bonds3

About 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine

6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine (PubChem CID 170666416) has the molecular formula C16H9ClF4N4 and a molecular weight of 368.72 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine
PubChem CID170666416
Molecular FormulaC16H9ClF4N4
Molecular Weight368.72 g/mol
Exact Mass368.05
IUPAC Name6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2)c(C(F)(F)F)nn1
InChIInChI=1S/C16H9ClF4N4/c17-9-1-2-12(18)11(7-9)13-8-14(15(25-24-13)16(19,20)21)23-10-3-5-22-6-4-10/h1-8H,(H,22,23,24)
InChIKeyBZTPNTNVNNVBQX-UHFFFAOYSA-N
XLogP5.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine (CID 170666416) is 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2)c(C(F)(F)F)nn1.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine?
The InChIKey is BZTPNTNVNNVBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF4N4/c17-9-1-2-12(18)11(7-9)13-8-14(15(25-24-13)16(19,20)21)23-10-3-5-22-6-4-10/h1-8H,(H,22,23,24).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine?
6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine has a molecular weight of 368.72 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-3-(trifluoromethyl)pyridazin-4-amine is sourced from PubChem (CID 170666416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).