4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile

C12H8BrN3O — CID 66310822

IUPAC4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2cc(Br)ccc2=O)ccn1
InChIInChI=1S/C12H8BrN3O/c13-10-1-2-12(17)16(8-10)7-9-3-4-15-11(5-9)6-14/h1-5,8H,7H2
InChIKeyBMEFTDDVRYOAND-UHFFFAOYSA-N
MW290.12 g/mol
LogP1.93
Rot. Bonds2

About 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile

4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile (PubChem CID 66310822) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile
PubChem CID66310822
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2cc(Br)ccc2=O)ccn1
InChIInChI=1S/C12H8BrN3O/c13-10-1-2-12(17)16(8-10)7-9-3-4-15-11(5-9)6-14/h1-5,8H,7H2
InChIKeyBMEFTDDVRYOAND-UHFFFAOYSA-N
XLogP1.93
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile (CID 66310822) is 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile is N#Cc1cc(Cn2cc(Br)ccc2=O)ccn1.
What is the InChIKey of 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile?
The InChIKey is BMEFTDDVRYOAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-10-1-2-12(17)16(8-10)7-9-3-4-15-11(5-9)6-14/h1-5,8H,7H2.
What are the key properties of 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile?
4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile has a molecular weight of 290.12 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 66310822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).