2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile

C14H12BrN3 — CID 114765939

IUPAC2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCc2ccccc2Br)n1
InChIInChI=1S/C14H12BrN3/c1-10-6-11(8-16)7-14(18-10)17-9-12-4-2-3-5-13(12)15/h2-7H,9H2,1H3,(H,17,18)
InChIKeyQASCAVZORDNOJD-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.64
Rot. Bonds3

About 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile

2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114765939) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114765939
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCc2ccccc2Br)n1
InChIInChI=1S/C14H12BrN3/c1-10-6-11(8-16)7-14(18-10)17-9-12-4-2-3-5-13(12)15/h2-7H,9H2,1H3,(H,17,18)
InChIKeyQASCAVZORDNOJD-UHFFFAOYSA-N
XLogP3.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 113378568
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974
2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114766216
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
CID 114769705
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile (CID 114765939) is 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NCc2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is QASCAVZORDNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10-6-11(8-16)7-14(18-10)17-9-12-4-2-3-5-13(12)15/h2-7H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile?
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 302.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).