6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile

C12H10BrN3S — CID 51301153

IUPAC6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Br)s1)c1ccc(C#N)cn1
InChIInChI=1S/C12H10BrN3S/c1-16(8-10-3-4-11(13)17-10)12-5-2-9(6-14)7-15-12/h2-5,7H,8H2,1H3
InChIKeyMJORVHKEQZSZMK-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.41
Rot. Bonds3

About 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile

6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile (PubChem CID 51301153) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
PubChem CID51301153
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Br)s1)c1ccc(C#N)cn1
InChIInChI=1S/C12H10BrN3S/c1-16(8-10-3-4-11(13)17-10)12-5-2-9(6-14)7-15-12/h2-5,7H,8H2,1H3
InChIKeyMJORVHKEQZSZMK-UHFFFAOYSA-N
XLogP3.41
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
4-amino-3-[(5-bromothiophen-2-yl)methyl-methylamino]benzonitrile
CID 115127299
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
2-N-[(5-bromothiophen-2-yl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382673
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 47359932
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47359694
N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 51304335
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile (CID 51301153) is 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile is CN(Cc1ccc(Br)s1)c1ccc(C#N)cn1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is MJORVHKEQZSZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c1-16(8-10-3-4-11(13)17-10)12-5-2-9(6-14)7-15-12/h2-5,7H,8H2,1H3.
What are the key properties of 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile?
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 308.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 51301153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).