3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine

C16H12BrF2N3 — CID 167827397

IUPAC3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine
SMILESFC(F)c1cnc(NCc2cccc3cnccc23)c(Br)c1
InChIInChI=1S/C16H12BrF2N3/c17-14-6-12(15(18)19)9-22-16(14)21-8-11-3-1-2-10-7-20-5-4-13(10)11/h1-7,9,15H,8H2,(H,21,22)
InChIKeyUVYDLXZSNUVNME-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.94
Rot. Bonds4

About 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine

3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine (PubChem CID 167827397) has the molecular formula C16H12BrF2N3 and a molecular weight of 364.19 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine
PubChem CID167827397
Molecular FormulaC16H12BrF2N3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine
SMILESFC(F)c1cnc(NCc2cccc3cnccc23)c(Br)c1
InChIInChI=1S/C16H12BrF2N3/c17-14-6-12(15(18)19)9-22-16(14)21-8-11-3-1-2-10-7-20-5-4-13(10)11/h1-7,9,15H,8H2,(H,21,22)
InChIKeyUVYDLXZSNUVNME-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62823178
4-bromo-N-(isoquinolin-5-ylmethyl)aniline
CID 62824422
2-bromo-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824778
2-bromo-6-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 107610451
3-bromo-5-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 105366894
3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 79535450
1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62823366
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
3-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824777
N-[(5-bromo-2-fluorophenyl)methyl]isoquinolin-5-amine
CID 43681278
2-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62825466
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine (CID 167827397) is 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine is FC(F)c1cnc(NCc2cccc3cnccc23)c(Br)c1.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine?
The InChIKey is UVYDLXZSNUVNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3/c17-14-6-12(15(18)19)9-22-16(14)21-8-11-3-1-2-10-7-20-5-4-13(10)11/h1-7,9,15H,8H2,(H,21,22).
What are the key properties of 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine?
3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine has a molecular weight of 364.19 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 167827397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).