5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile

C13H10BrFN4 — CID 61299853

IUPAC5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCc1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN4/c14-10-1-2-12(15)9(3-10)6-18-13-8(5-16)4-11(17)7-19-13/h1-4,7H,6,17H2,(H,18,19)
InChIKeyVWWPEZRQYRQGIP-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.05
Rot. Bonds3

About 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile

5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 61299853) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
PubChem CID61299853
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1NCc1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN4/c14-10-1-2-12(15)9(3-10)6-18-13-8(5-16)4-11(17)7-19-13/h1-4,7H,6,17H2,(H,18,19)
InChIKeyVWWPEZRQYRQGIP-UHFFFAOYSA-N
XLogP3.05
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromo-2-fluorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 103471400
2-amino-5-[(5-bromo-2-fluorophenyl)methylamino]benzonitrile
CID 115499190
5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 62880770
5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839971
5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
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5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 62995291
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
[6-[(5-bromo-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyanamide
CID 115264641
3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 116795672

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile (CID 61299853) is 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile is N#Cc1cc(N)cnc1NCc1cc(Br)ccc1F.
What is the InChIKey of 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is VWWPEZRQYRQGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c14-10-1-2-12(15)9(3-10)6-18-13-8(5-16)4-11(17)7-19-13/h1-4,7H,6,17H2,(H,18,19).
What are the key properties of 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile?
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 321.15 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 61299853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).