6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile

C13H12BrN3S — CID 107355274

IUPAC6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(-c2cc(Br)cs2)ccc1C#N
InChIInChI=1S/C13H12BrN3S/c1-2-5-16-13-9(7-15)3-4-11(17-13)12-6-10(14)8-18-12/h3-4,6,8H,2,5H2,1H3,(H,16,17)
InChIKeyIVFFUJLLJZYRGV-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.27
Rot. Bonds4

About 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile

6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile (PubChem CID 107355274) has the molecular formula C13H12BrN3S and a molecular weight of 322.23 g/mol. Its IUPAC name is 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile
PubChem CID107355274
Molecular FormulaC13H12BrN3S
Molecular Weight322.23 g/mol
Exact Mass320.99
IUPAC Name6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(-c2cc(Br)cs2)ccc1C#N
InChIInChI=1S/C13H12BrN3S/c1-2-5-16-13-9(7-15)3-4-11(17-13)12-6-10(14)8-18-12/h3-4,6,8H,2,5H2,1H3,(H,16,17)
InChIKeyIVFFUJLLJZYRGV-UHFFFAOYSA-N
XLogP4.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromothiophen-2-yl)-2-hydrazinylpyridine-3-carbonitrile
CID 107355275
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile
CID 63482773
6-(4-bromophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62198237
2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 55194037
6-(1-benzothiophen-2-yl)-2-(ethylamino)pyridine-3-carbonitrile
CID 114911037
2-(4-bromothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63480516
2-(ethylamino)-6-(5-ethylthiophen-2-yl)pyridine-3-carbonitrile
CID 55045564
2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94281991
6-(5-bromothiophen-2-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 62198063
2-(ethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 55045466
2-(4-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66301815

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile (CID 107355274) is 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile is CCCNc1nc(-c2cc(Br)cs2)ccc1C#N.
What is the InChIKey of 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile?
The InChIKey is IVFFUJLLJZYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3S/c1-2-5-16-13-9(7-15)3-4-11(17-13)12-6-10(14)8-18-12/h3-4,6,8H,2,5H2,1H3,(H,16,17).
What are the key properties of 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile?
6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile has a molecular weight of 322.23 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 107355274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).