4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

C14H11ClFN3 — CID 81060361

IUPAC4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C14H11ClFN3/c1-8-5-14(11(7-17)9(2)18-8)19-10-3-4-12(15)13(16)6-10/h3-6H,1-2H3,(H,18,19)
InChIKeyRFSMOQLJABCQTP-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.11
Rot. Bonds2

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

4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060361) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060361
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(Cl)c(F)c2)c(C#N)c(C)n1
InChIInChI=1S/C14H11ClFN3/c1-8-5-14(11(7-17)9(2)18-8)19-10-3-4-12(15)13(16)6-10/h3-6H,1-2H3,(H,18,19)
InChIKeyRFSMOQLJABCQTP-UHFFFAOYSA-N
XLogP4.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060361) is 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(Nc2ccc(Cl)c(F)c2)c(C#N)c(C)n1.
What is the InChIKey of 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RFSMOQLJABCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-8-5-14(11(7-17)9(2)18-8)19-10-3-4-12(15)13(16)6-10/h3-6H,1-2H3,(H,18,19).
What are the key properties of 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 275.71 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).