5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile

C14H11Cl2FN4 — CID 102757849

IUPAC5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
SMILESCCNc1nc(Nc2ccc(F)c(C#N)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2FN4/c1-2-19-13-10(15)6-11(16)14(21-13)20-9-3-4-12(17)8(5-9)7-18/h3-6H,2H2,1H3,(H2,19,20,21)
InChIKeyULYCZUHBTGAYST-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.57
Rot. Bonds4

About 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile

5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile (PubChem CID 102757849) has the molecular formula C14H11Cl2FN4 and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
PubChem CID102757849
Molecular FormulaC14H11Cl2FN4
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
SMILESCCNc1nc(Nc2ccc(F)c(C#N)c2)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2FN4/c1-2-19-13-10(15)6-11(16)14(21-13)20-9-3-4-12(17)8(5-9)7-18/h3-6H,2H2,1H3,(H2,19,20,21)
InChIKeyULYCZUHBTGAYST-UHFFFAOYSA-N
XLogP4.57
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-bromo-4-fluorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759804
3,5-dichloro-6-N-(3,4-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754928
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 102759368
3,5-dichloro-6-N-(3-fluoro-4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755202
5-[(6-chloro-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 63587476
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
CID 80797148
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
5-[(2-chloro-4-pyridinyl)amino]-2-fluorobenzonitrile
CID 102824174
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile (CID 102757849) is 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile is CCNc1nc(Nc2ccc(F)c(C#N)c2)c(Cl)cc1Cl.
What is the InChIKey of 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile?
The InChIKey is ULYCZUHBTGAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN4/c1-2-19-13-10(15)6-11(16)14(21-13)20-9-3-4-12(17)8(5-9)7-18/h3-6H,2H2,1H3,(H2,19,20,21).
What are the key properties of 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile?
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile has a molecular weight of 325.17 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile is sourced from PubChem (CID 102757849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).