2,4-difluoro-5-isoquinolin-7-ylaniline

C15H10F2N2 — CID 163369175

IUPAC2,4-difluoro-5-isoquinolin-7-ylaniline
SMILESNc1cc(-c2ccc3ccncc3c2)c(F)cc1F
InChIInChI=1S/C15H10F2N2/c16-13-7-14(17)15(18)6-12(13)10-2-1-9-3-4-19-8-11(9)5-10/h1-8H,18H2
InChIKeyBHOJNJQFKFFKIO-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.76
Rot. Bonds1

About 2,4-difluoro-5-isoquinolin-7-ylaniline

2,4-difluoro-5-isoquinolin-7-ylaniline (PubChem CID 163369175) has the molecular formula C15H10F2N2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2,4-difluoro-5-isoquinolin-7-ylaniline.

Molecular Properties

Compound Name2,4-difluoro-5-isoquinolin-7-ylaniline
PubChem CID163369175
Molecular FormulaC15H10F2N2
Molecular Weight256.25 g/mol
Exact Mass256.08
IUPAC Name2,4-difluoro-5-isoquinolin-7-ylaniline
SMILESNc1cc(-c2ccc3ccncc3c2)c(F)cc1F
InChIInChI=1S/C15H10F2N2/c16-13-7-14(17)15(18)6-12(13)10-2-1-9-3-4-19-8-11(9)5-10/h1-8H,18H2
InChIKeyBHOJNJQFKFFKIO-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-isoquinolin-7-ylphenol
CID 68897209
2,5-difluoro-4-(2-methylquinolin-6-yl)aniline
CID 107615923
7-(14-isoquinolin-7-yl-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl)isoquinoline
CID 59845260
7-(4-chloro-2-propan-2-ylphenyl)isoquinoline
CID 121262909
6-naphthalen-2-ylisoquinoline
CID 59724414
4-isoquinolin-6-yl-1,2-oxazol-3-amine
CID 67524608
2-fluoro-4-[4-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]aniline
CID 146253057
2,4-difluoro-5-(3-methylphenyl)aniline
CID 164576434
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009
4-(2,5-difluoro-4-pyridin-4-ylphenyl)pyridine
CID 102193894
7-(3-chloro-4-pyridinyl)isoquinolin-3-amine
CID 71115734
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-isoquinolin-7-ylaniline?
The IUPAC name of 2,4-difluoro-5-isoquinolin-7-ylaniline (CID 163369175) is 2,4-difluoro-5-isoquinolin-7-ylaniline.
What is the SMILES notation for 2,4-difluoro-5-isoquinolin-7-ylaniline?
The canonical SMILES for 2,4-difluoro-5-isoquinolin-7-ylaniline is Nc1cc(-c2ccc3ccncc3c2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-isoquinolin-7-ylaniline?
The InChIKey is BHOJNJQFKFFKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2/c16-13-7-14(17)15(18)6-12(13)10-2-1-9-3-4-19-8-11(9)5-10/h1-8H,18H2.
What are the key properties of 2,4-difluoro-5-isoquinolin-7-ylaniline?
2,4-difluoro-5-isoquinolin-7-ylaniline has a molecular weight of 256.25 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-isoquinolin-7-ylaniline is sourced from PubChem (CID 163369175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).