4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile

C16H10BrFN4 — CID 69180814

IUPAC4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cnc(F)cc23)cc1Br
InChIInChI=1S/C16H10BrFN4/c1-9-2-3-11(4-13(9)17)22-16-10(6-19)7-20-14-8-21-15(18)5-12(14)16/h2-5,7-8H,1H3,(H,20,22)
InChIKeyVVVDJJLYLRQBCA-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.46
Rot. Bonds2

About 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile

4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (PubChem CID 69180814) has the molecular formula C16H10BrFN4 and a molecular weight of 357.19 g/mol. Its IUPAC name is 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
PubChem CID69180814
Molecular FormulaC16H10BrFN4
Molecular Weight357.19 g/mol
Exact Mass356.01
IUPAC Name4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)cnc3cnc(F)cc23)cc1Br
InChIInChI=1S/C16H10BrFN4/c1-9-2-3-11(4-13(9)17)22-16-10(6-19)7-20-14-8-21-15(18)5-12(14)16/h2-5,7-8H,1H3,(H,20,22)
InChIKeyVVVDJJLYLRQBCA-UHFFFAOYSA-N
XLogP4.46
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69183763
6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile
CID 69180760
4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69181938
4-(3-bromo-4-methylanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
CID 69315031
4-(4-bromo-3-methylanilino)quinoline-3-carbonitrile
CID 43668947
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
6-[2-(dimethylamino)ethoxy]-4-(3-hydroxy-4-methylanilino)-1,7-naphthyridine-3-carbonitrile
CID 18548946
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
6-amino-4-(4-fluoro-3-methylanilino)-7-(2-methoxyethoxy)quinoline-3-carbonitrile
CID 70661673
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
N-[4-(3-bromo-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 54147240

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (CID 69180814) is 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is Cc1ccc(Nc2c(C#N)cnc3cnc(F)cc23)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The InChIKey is VVVDJJLYLRQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN4/c1-9-2-3-11(4-13(9)17)22-16-10(6-19)7-20-14-8-21-15(18)5-12(14)16/h2-5,7-8H,1H3,(H,20,22).
What are the key properties of 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile has a molecular weight of 357.19 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 69180814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).