6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine

C15H11F3N4O — CID 122443345

IUPAC6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2nccc3c(OC(F)(F)F)cccc23)n1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)23-11-4-1-3-10-9(11)7-8-20-14(10)22-13-6-2-5-12(19)21-13/h1-8H,(H3,19,20,21,22)
InChIKeySLVCKDTVAMMPCL-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.85
Rot. Bonds3

About 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine

6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine (PubChem CID 122443345) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine
PubChem CID122443345
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine
SMILESNc1cccc(Nc2nccc3c(OC(F)(F)F)cccc23)n1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)23-11-4-1-3-10-9(11)7-8-20-14(10)22-13-6-2-5-12(19)21-13/h1-8H,(H3,19,20,21,22)
InChIKeySLVCKDTVAMMPCL-UHFFFAOYSA-N
XLogP3.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
CID 122451767
5-(trifluoromethoxy)quinolin-2-amine
CID 125425664
4-N-(6-amino-2-pyridinyl)-2-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 66556058
5-(trifluoromethoxy)quinazolin-2-amine
CID 162341895
4-(trifluoromethoxy)quinoline
CID 118835416
3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine
CID 122451665
4-N-isoquinolin-1-ylpyrimidine-4,6-diamine
CID 117086445
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
6-N-(2,4-difluorophenyl)pyridine-2,6-diamine
CID 80647983
[2-methyl-3-propan-2-yl-8-(trifluoromethoxy)quinolin-4-yl]hydrazine
CID 63483517
ethane;propane;6-(trifluoromethoxy)pyridin-2-amine
CID 178040742
N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
CID 107336659

Frequently Asked Questions

What is the IUPAC name of 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine (CID 122443345) is 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine is Nc1cccc(Nc2nccc3c(OC(F)(F)F)cccc23)n1.
What is the InChIKey of 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine?
The InChIKey is SLVCKDTVAMMPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)23-11-4-1-3-10-9(11)7-8-20-14(10)22-13-6-2-5-12(19)21-13/h1-8H,(H3,19,20,21,22).
What are the key properties of 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine?
6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine has a molecular weight of 320.27 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine is sourced from PubChem (CID 122443345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).