4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

C15H14BrN3O — CID 63887268

IUPAC4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNCc1cccc(Br)c1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H14BrN3O/c1-18-9-12-3-2-4-14(16)15(12)20-10-11-5-6-19-13(7-11)8-17/h2-7,18H,9-10H2,1H3
InChIKeyPZZQZOGFNBDDPD-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.01
Rot. Bonds5

About 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63887268) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63887268
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNCc1cccc(Br)c1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H14BrN3O/c1-18-9-12-3-2-4-14(16)15(12)20-10-11-5-6-19-13(7-11)8-17/h2-7,18H,9-10H2,1H3
InChIKeyPZZQZOGFNBDDPD-UHFFFAOYSA-N
XLogP3.01
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61390155
4-[[2-chloro-6-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 112613526
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
4-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 63880588
4-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107695260
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
CID 107741577
1-[3-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79703239
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
1-[3-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390263
5-[2-bromo-6-(methylaminomethyl)phenoxy]pentanenitrile
CID 54966211
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 65203604

Frequently Asked Questions

What is the IUPAC name of 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 63887268) is 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is CNCc1cccc(Br)c1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is PZZQZOGFNBDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-18-9-12-3-2-4-14(16)15(12)20-10-11-5-6-19-13(7-11)8-17/h2-7,18H,9-10H2,1H3.
What are the key properties of 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 332.20 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-bromo-6-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63887268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).