4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile

C13H9BrN2O — CID 63880574

IUPAC4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(Br)cc2)ccn1
InChIInChI=1S/C13H9BrN2O/c14-11-1-3-13(4-2-11)17-9-10-5-6-16-12(7-10)8-15/h1-7H,9H2
InChIKeyXCBXDVDWPVHCSX-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.29
Rot. Bonds3

About 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile

4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63880574) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63880574
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(Br)cc2)ccn1
InChIInChI=1S/C13H9BrN2O/c14-11-1-3-13(4-2-11)17-9-10-5-6-16-12(7-10)8-15/h1-7H,9H2
InChIKeyXCBXDVDWPVHCSX-UHFFFAOYSA-N
XLogP3.29
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 63888036
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63889419
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 78953406
4-[(4-bromophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884833
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
CID 107741577
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile (CID 63880574) is 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccc(Br)cc2)ccn1.
What is the InChIKey of 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is XCBXDVDWPVHCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-11-1-3-13(4-2-11)17-9-10-5-6-16-12(7-10)8-15/h1-7H,9H2.
What are the key properties of 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile?
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 289.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63880574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).