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

C14H12BrN3 — CID 15945584

IUPAC2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3/c1-10(11-4-6-13(15)7-5-11)18-14-12(9-16)3-2-8-17-14/h2-8,10H,1H3,(H,17,18)
InChIKeyRKIZGTXPWPGTLK-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.89
Rot. Bonds3

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

2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 15945584) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID15945584
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncccc1C#N)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3/c1-10(11-4-6-13(15)7-5-11)18-14-12(9-16)3-2-8-17-14/h2-8,10H,1H3,(H,17,18)
InChIKeyRKIZGTXPWPGTLK-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile (CID 15945584) is 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ncccc1C#N)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is RKIZGTXPWPGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10(11-4-6-13(15)7-5-11)18-14-12(9-16)3-2-8-17-14/h2-8,10H,1H3,(H,17,18).
What are the key properties of 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile?
2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 302.18 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 15945584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).