5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile

C11H8BrN3O — CID 82341774

IUPAC5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1NCc1ccco1
InChIInChI=1S/C11H8BrN3O/c12-9-4-8(5-13)11(14-6-9)15-7-10-2-1-3-16-10/h1-4,6H,7H2,(H,14,15)
InChIKeyUNRIAVDLICWECL-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.92
Rot. Bonds3

About 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile

5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile (PubChem CID 82341774) has the molecular formula C11H8BrN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile
PubChem CID82341774
Molecular FormulaC11H8BrN3O
Molecular Weight278.11 g/mol
Exact Mass276.99
IUPAC Name5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1NCc1ccco1
InChIInChI=1S/C11H8BrN3O/c12-9-4-8(5-13)11(14-6-9)15-7-10-2-1-3-16-10/h1-4,6H,7H2,(H,14,15)
InChIKeyUNRIAVDLICWECL-UHFFFAOYSA-N
XLogP2.92
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-chloro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 82489662
3-(furan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80508635
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
5-bromo-2-(3-methylbutylamino)pyridine-3-carbonitrile
CID 82341796
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853
5-bromo-2-(pentan-3-ylamino)pyridine-3-carbonitrile
CID 76848522
4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
CID 24903357
5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80766356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile (CID 82341774) is 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile is N#Cc1cc(Br)cnc1NCc1ccco1.
What is the InChIKey of 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile?
The InChIKey is UNRIAVDLICWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O/c12-9-4-8(5-13)11(14-6-9)15-7-10-2-1-3-16-10/h1-4,6H,7H2,(H,14,15).
What are the key properties of 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile?
5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile has a molecular weight of 278.11 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82341774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).