5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile

C16H16ClN3 — CID 82782238

IUPAC5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile
SMILESCCNC(C)c1ccc(-c2cncc(C#N)c2)cc1Cl
InChIInChI=1S/C16H16ClN3/c1-3-20-11(2)15-5-4-13(7-16(15)17)14-6-12(8-18)9-19-10-14/h4-7,9-11,20H,3H2,1-2H3
InChIKeySVCHUPKWIQDDCX-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.94
Rot. Bonds4

About 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile

5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile (PubChem CID 82782238) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile
PubChem CID82782238
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile
SMILESCCNC(C)c1ccc(-c2cncc(C#N)c2)cc1Cl
InChIInChI=1S/C16H16ClN3/c1-3-20-11(2)15-5-4-13(7-16(15)17)14-6-12(8-18)9-19-10-14/h4-7,9-11,20H,3H2,1-2H3
InChIKeySVCHUPKWIQDDCX-UHFFFAOYSA-N
XLogP3.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
5-(4-acetyl-3-chlorophenyl)pyridine-3-carbonitrile
CID 82782660
3-[4-[1-(ethylamino)ethyl]phenyl]benzonitrile
CID 54912076
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
5-(3-chlorophenyl)pyridine-3-carbonitrile
CID 71303498
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine
CID 107750950

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile (CID 82782238) is 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile is CCNC(C)c1ccc(-c2cncc(C#N)c2)cc1Cl.
What is the InChIKey of 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile?
The InChIKey is SVCHUPKWIQDDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-20-11(2)15-5-4-13(7-16(15)17)14-6-12(8-18)9-19-10-14/h4-7,9-11,20H,3H2,1-2H3.
What are the key properties of 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile?
5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile has a molecular weight of 285.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 82782238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).