6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile

C14H11ClFN3 — CID 133431107

IUPAC6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Cl)c(F)c1)c1ccc(C#N)cn1
InChIInChI=1S/C14H11ClFN3/c1-19(14-5-3-11(7-17)8-18-14)9-10-2-4-12(15)13(16)6-10/h2-6,8H,9H2,1H3
InChIKeyWRWDLUSRMCUWRH-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.38
Rot. Bonds3

About 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile

6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile (PubChem CID 133431107) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
PubChem CID133431107
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Cl)c(F)c1)c1ccc(C#N)cn1
InChIInChI=1S/C14H11ClFN3/c1-19(14-5-3-11(7-17)8-18-14)9-10-2-4-12(15)13(16)6-10/h2-6,8H,9H2,1H3
InChIKeyWRWDLUSRMCUWRH-UHFFFAOYSA-N
XLogP3.38
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile (CID 133431107) is 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile is CN(Cc1ccc(Cl)c(F)c1)c1ccc(C#N)cn1.
What is the InChIKey of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is WRWDLUSRMCUWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-19(14-5-3-11(7-17)8-18-14)9-10-2-4-12(15)13(16)6-10/h2-6,8H,9H2,1H3.
What are the key properties of 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 275.71 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133431107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).