2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile

C23H16ClFN4O — CID 73292262

IUPAC2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3cc4cc(F)ccc4nc3Cl)nc(N)c2C#N)cc1
InChIInChI=1S/C23H16ClFN4O/c1-2-30-16-6-3-13(4-7-16)17-11-21(29-23(27)19(17)12-26)18-10-14-9-15(25)5-8-20(14)28-22(18)24/h3-11H,2H2,1H3,(H2,27,29)
InChIKeyGYTCHRBWYFJNML-UHFFFAOYSA-N
MW418.86 g/mol
LogP5.61
Rot. Bonds4

About 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 73292262) has the molecular formula C23H16ClFN4O and a molecular weight of 418.86 g/mol. Its IUPAC name is 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile
PubChem CID73292262
Molecular FormulaC23H16ClFN4O
Molecular Weight418.86 g/mol
Exact Mass418.10
IUPAC Name2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3cc4cc(F)ccc4nc3Cl)nc(N)c2C#N)cc1
InChIInChI=1S/C23H16ClFN4O/c1-2-30-16-6-3-13(4-7-16)17-11-21(29-23(27)19(17)12-26)18-10-14-9-15(25)5-8-20(14)28-22(18)24/h3-11H,2H2,1H3,(H2,27,29)
InChIKeyGYTCHRBWYFJNML-UHFFFAOYSA-N
XLogP5.61
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.86
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-4-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241532
2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5153880
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 5241329
2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817564
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 3362049
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
2-amino-4-(2,5-difluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3374289

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile (CID 73292262) is 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3cc4cc(F)ccc4nc3Cl)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is GYTCHRBWYFJNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O/c1-2-30-16-6-3-13(4-7-16)17-11-21(29-23(27)19(17)12-26)18-10-14-9-15(25)5-8-20(14)28-22(18)24/h3-11H,2H2,1H3,(H2,27,29).
What are the key properties of 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 418.86 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chloro-6-fluoroquinolin-3-yl)-4-(4-ethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 73292262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).