3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile

C12H8BrFN4 — CID 82813369

IUPAC3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C12H8BrFN4/c13-9-2-1-8(5-10(9)14)18-12-11(16)7(6-15)3-4-17-12/h1-5H,16H2,(H,17,18)
InChIKeyVKROCFNEGYLXGT-UHFFFAOYSA-N
MW307.13 g/mol
LogP3.18
Rot. Bonds2

About 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile

3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile (PubChem CID 82813369) has the molecular formula C12H8BrFN4 and a molecular weight of 307.13 g/mol. Its IUPAC name is 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
PubChem CID82813369
Molecular FormulaC12H8BrFN4
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C12H8BrFN4/c13-9-2-1-8(5-10(9)14)18-12-11(16)7(6-15)3-4-17-12/h1-5H,16H2,(H,17,18)
InChIKeyVKROCFNEGYLXGT-UHFFFAOYSA-N
XLogP3.18
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114261881
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
2-amino-5-(4-bromo-3-fluoroanilino)benzonitrile
CID 115499569
3-amino-2-[4-(cyanomethyl)anilino]pyridine-4-carbonitrile
CID 82817545
3-amino-2-(2,3,4-trifluoroanilino)pyridine-4-carbonitrile
CID 82817204
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
3-bromo-N-(4-bromo-3-fluorophenyl)pyridin-2-amine
CID 65437020
3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
CID 82816909
4-(4-bromo-2,5-difluoroanilino)-2-fluorobenzonitrile
CID 107612112
4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
3-amino-2-(5-bromo-2-methoxyanilino)pyridine-4-carbonitrile
CID 82817698

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile (CID 82813369) is 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccc(Br)c(F)c2)c1N.
What is the InChIKey of 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile?
The InChIKey is VKROCFNEGYLXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN4/c13-9-2-1-8(5-10(9)14)18-12-11(16)7(6-15)3-4-17-12/h1-5H,16H2,(H,17,18).
What are the key properties of 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile?
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile has a molecular weight of 307.13 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82813369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).