3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide

C17H10F4N4O2 — CID 178030034

IUPAC3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(OC(F)(F)F)c2)nn1)c1ncccc1F
InChIInChI=1S/C17H10F4N4O2/c18-12-5-2-8-22-15(12)16(26)23-14-7-6-13(24-25-14)10-3-1-4-11(9-10)27-17(19,20)21/h1-9H,(H,23,25,26)
InChIKeyBHTUIBIXSMQJAX-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.83
Rot. Bonds4

About 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide

3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide (PubChem CID 178030034) has the molecular formula C17H10F4N4O2 and a molecular weight of 378.29 g/mol. Its IUPAC name is 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
PubChem CID178030034
Molecular FormulaC17H10F4N4O2
Molecular Weight378.29 g/mol
Exact Mass378.07
IUPAC Name3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(OC(F)(F)F)c2)nn1)c1ncccc1F
InChIInChI=1S/C17H10F4N4O2/c18-12-5-2-8-22-15(12)16(26)23-14-7-6-13(24-25-14)10-3-1-4-11(9-10)27-17(19,20)21/h1-9H,(H,23,25,26)
InChIKeyBHTUIBIXSMQJAX-UHFFFAOYSA-N
XLogP3.83
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
CID 58154775
2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
CID 71415618
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
5-chloro-N-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]-1,3-thiazole-4-carboxamide
CID 178030422
3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 134631215
methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
3-[[2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-4-carboxylic acid
CID 147835566
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide
CID 58477365
methyl 3-[6-[[(3S)-3-fluoro-4-(3-fluoro-2-pyridinyl)butyl]amino]pyridazin-3-yl]benzoate
CID 126725379
3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 133089391
4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide (CID 178030034) is 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide is O=C(Nc1ccc(-c2cccc(OC(F)(F)F)c2)nn1)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide?
The InChIKey is BHTUIBIXSMQJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4O2/c18-12-5-2-8-22-15(12)16(26)23-14-7-6-13(24-25-14)10-3-1-4-11(9-10)27-17(19,20)21/h1-9H,(H,23,25,26).
What are the key properties of 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide?
3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide has a molecular weight of 378.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 178030034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).