3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile

C13H10BrN3O — CID 82828614

IUPAC3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCc2ccc(Br)cc2)c1N
InChIInChI=1S/C13H10BrN3O/c14-11-3-1-9(2-4-11)8-18-13-12(16)10(7-15)5-6-17-13/h1-6H,8,16H2
InChIKeyMKLMQYINMJQVMK-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.88
Rot. Bonds3

About 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile

3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile (PubChem CID 82828614) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
PubChem CID82828614
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCc2ccc(Br)cc2)c1N
InChIInChI=1S/C13H10BrN3O/c14-11-3-1-9(2-4-11)8-18-13-12(16)10(7-15)5-6-17-13/h1-6H,8,16H2
InChIKeyMKLMQYINMJQVMK-UHFFFAOYSA-N
XLogP2.88
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile
CID 82813622
2-[(4-bromophenyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 82807332
3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
CID 82812758
4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
CID 114902529
3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
CID 82812776
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
CID 103282880
3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
CID 82812987
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
3-amino-2-cyclopentyloxypyridine-4-carbonitrile
CID 82812658
4-[(4-bromo-2-pyridinyl)oxymethyl]benzonitrile
CID 177255631

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile (CID 82828614) is 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile is N#Cc1ccnc(OCc2ccc(Br)cc2)c1N.
What is the InChIKey of 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile?
The InChIKey is MKLMQYINMJQVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-3-1-9(2-4-11)8-18-13-12(16)10(7-15)5-6-17-13/h1-6H,8,16H2.
What are the key properties of 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile?
3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile has a molecular weight of 304.15 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 82828614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).