2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile

C14H11BrClN3 — CID 83072667

IUPAC2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrClN3/c1-9(11-3-2-4-12(15)7-11)18-14-6-10(8-17)5-13(16)19-14/h2-7,9H,1H3,(H,18,19)
InChIKeyYZAMBWROVDOOPA-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.54
Rot. Bonds3

About 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile

2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile (PubChem CID 83072667) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
PubChem CID83072667
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrClN3/c1-9(11-3-2-4-12(15)7-11)18-14-6-10(8-17)5-13(16)19-14/h2-7,9H,1H3,(H,18,19)
InChIKeyYZAMBWROVDOOPA-UHFFFAOYSA-N
XLogP4.54
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83073840
2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83076667
3-[1-[[(1R)-1-(3-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81382624
N-[1-(3-bromophenyl)ethyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562409
3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
CID 133333173
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 83077491
2-amino-3-[1-(3-bromophenyl)ethylamino]benzonitrile
CID 104716504
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
CID 83077497

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile (CID 83072667) is 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile is CC(Nc1cc(C#N)cc(Cl)n1)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile?
The InChIKey is YZAMBWROVDOOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-9(11-3-2-4-12(15)7-11)18-14-6-10(8-17)5-13(16)19-14/h2-7,9H,1H3,(H,18,19).
What are the key properties of 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile?
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile has a molecular weight of 336.62 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile is sourced from PubChem (CID 83072667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).