4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile

C12H10BrN3S — CID 114139101

IUPAC4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCc2ccc(Br)s2)ccn1
InChIInChI=1S/C12H10BrN3S/c13-12-2-1-11(17-12)4-6-15-9-3-5-16-10(7-9)8-14/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyWMCVRLZAZSHURH-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.43
Rot. Bonds4

About 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile

4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 114139101) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID114139101
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCc2ccc(Br)s2)ccn1
InChIInChI=1S/C12H10BrN3S/c13-12-2-1-11(17-12)4-6-15-9-3-5-16-10(7-9)8-14/h1-3,5,7H,4,6H2,(H,15,16)
InChIKeyWMCVRLZAZSHURH-UHFFFAOYSA-N
XLogP3.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
CID 106038698
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydrazinylpyridin-4-amine
CID 106044050
2-bromo-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
CID 114139092
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
2-amino-4-[2-(5-bromothiophen-2-yl)ethylamino]benzonitrile
CID 106037302
3-[2-(5-bromothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 114139098
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-[2-[(2-cyano-4-pyridinyl)amino]ethyl]benzoic acid
CID 62924635
4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 80681842

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile (CID 114139101) is 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile is N#Cc1cc(NCCc2ccc(Br)s2)ccn1.
What is the InChIKey of 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is WMCVRLZAZSHURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-12-2-1-11(17-12)4-6-15-9-3-5-16-10(7-9)8-14/h1-3,5,7H,4,6H2,(H,15,16).
What are the key properties of 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile?
4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 308.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 114139101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).