2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile

C14H11ClFN3 — CID 83073840

IUPAC2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFN3/c1-9(11-2-4-12(16)5-3-11)18-14-7-10(8-17)6-13(15)19-14/h2-7,9H,1H3,(H,18,19)
InChIKeyDAVHKBAMYKSWFF-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile

2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 83073840) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID83073840
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFN3/c1-9(11-2-4-12(16)5-3-11)18-14-7-10(8-17)6-13(15)19-14/h2-7,9H,1H3,(H,18,19)
InChIKeyDAVHKBAMYKSWFF-UHFFFAOYSA-N
XLogP3.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.92
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-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83076667
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
CID 83072667
4-[1-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192790
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
2-chloro-6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carbonitrile
CID 83077497
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
CID 103467892
2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 55021440
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
CID 83073416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile (CID 83073840) is 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile is CC(Nc1cc(C#N)cc(Cl)n1)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is DAVHKBAMYKSWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-9(11-2-4-12(16)5-3-11)18-14-7-10(8-17)6-13(15)19-14/h2-7,9H,1H3,(H,18,19).
What are the key properties of 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 275.71 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83073840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).