7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine

C18H10ClF3N6 — CID 58945611

IUPAC7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc3nc(-c4ncccc4Cl)ccc23)nc1
InChIInChI=1S/C18H10ClF3N6/c19-12-2-1-7-23-16(12)13-5-4-11-14(9-25-28-17(11)27-13)26-15-6-3-10(8-24-15)18(20,21)22/h1-9H,(H,24,26,27,28)
InChIKeyYXWKKRVAAXNZEA-UHFFFAOYSA-N
MW402.77 g/mol
LogP4.90
Rot. Bonds3

About 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine

7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine (PubChem CID 58945611) has the molecular formula C18H10ClF3N6 and a molecular weight of 402.77 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
PubChem CID58945611
Molecular FormulaC18H10ClF3N6
Molecular Weight402.77 g/mol
Exact Mass402.06
IUPAC Name7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc3nc(-c4ncccc4Cl)ccc23)nc1
InChIInChI=1S/C18H10ClF3N6/c19-12-2-1-7-23-16(12)13-5-4-11-14(9-25-28-17(11)27-13)26-15-6-3-10(8-24-15)18(20,21)22/h1-9H,(H,24,26,27,28)
InChIKeyYXWKKRVAAXNZEA-UHFFFAOYSA-N
XLogP4.90
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.77
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine (CID 58945611) is 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine is FC(F)(F)c1ccc(Nc2cnnc3nc(-c4ncccc4Cl)ccc23)nc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
The InChIKey is YXWKKRVAAXNZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N6/c19-12-2-1-7-23-16(12)13-5-4-11-14(9-25-28-17(11)27-13)26-15-6-3-10(8-24-15)18(20,21)22/h1-9H,(H,24,26,27,28).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine?
7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine has a molecular weight of 402.77 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine is sourced from PubChem (CID 58945611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).