4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide

C13H11ClFN3O — CID 90060793

IUPAC4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-18(2)13(19)9-4-3-8(7-10(9)15)11-5-6-12(14)17-16-11/h3-7H,1-2H3
InChIKeySJYQTCFFCQPCPD-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.64
Rot. Bonds2

About 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide

4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide (PubChem CID 90060793) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide
PubChem CID90060793
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-18(2)13(19)9-4-3-8(7-10(9)15)11-5-6-12(14)17-16-11/h3-7H,1-2H3
InChIKeySJYQTCFFCQPCPD-UHFFFAOYSA-N
XLogP2.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide (CID 90060793) is 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc(Cl)nn2)cc1F.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is SJYQTCFFCQPCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-18(2)13(19)9-4-3-8(7-10(9)15)11-5-6-12(14)17-16-11/h3-7H,1-2H3.
What are the key properties of 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide?
4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 279.70 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 90060793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).