4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

C14H10Cl2FN3 — CID 107574631

IUPAC4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(Cl)c(F)c(Cl)c2)c(C#N)c(C)n1
InChIInChI=1S/C14H10Cl2FN3/c1-7-3-13(10(6-18)8(2)19-7)20-9-4-11(15)14(17)12(16)5-9/h3-5H,1-2H3,(H,19,20)
InChIKeyYMWIGPCUHRZYTM-UHFFFAOYSA-N
MW310.16 g/mol
LogP4.76
Rot. Bonds2

About 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 107574631) has the molecular formula C14H10Cl2FN3 and a molecular weight of 310.16 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID107574631
Molecular FormulaC14H10Cl2FN3
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(Cl)c(F)c(Cl)c2)c(C#N)c(C)n1
InChIInChI=1S/C14H10Cl2FN3/c1-7-3-13(10(6-18)8(2)19-7)20-9-4-11(15)14(17)12(16)5-9/h3-5H,1-2H3,(H,19,20)
InChIKeyYMWIGPCUHRZYTM-UHFFFAOYSA-N
XLogP4.76
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060361
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
CID 81060425
4-(4-bromo-2,6-difluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060865
4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
4-[[6-(dimethylamino)-3-pyridinyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396607
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 104828350
2,6-dimethyl-4-[4-(2-methylsulfonylethyl)anilino]pyridine-3-carbonitrile
CID 133398006
4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060340
4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107635030

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 107574631) is 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Nc2cc(Cl)c(F)c(Cl)c2)c(C#N)c(C)n1.
What is the InChIKey of 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is YMWIGPCUHRZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3/c1-7-3-13(10(6-18)8(2)19-7)20-9-4-11(15)14(17)12(16)5-9/h3-5H,1-2H3,(H,19,20).
What are the key properties of 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 310.16 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 107574631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).