5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide

C14H12ClFN2O2 — CID 728735

IUPAC5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Oc2ccc(F)cc2)c(C(N)=O)c(C)c1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-7-11(13(17)19)14(18-8(2)12(7)15)20-10-5-3-9(16)4-6-10/h3-6H,1-2H3,(H2,17,19)
InChIKeySCRCYPGHMQSNQB-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.38
Rot. Bonds3

About 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide

5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 728735) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide
PubChem CID728735
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1nc(Oc2ccc(F)cc2)c(C(N)=O)c(C)c1Cl
InChIInChI=1S/C14H12ClFN2O2/c1-7-11(13(17)19)14(18-8(2)12(7)15)20-10-5-3-9(16)4-6-10/h3-6H,1-2H3,(H2,17,19)
InChIKeySCRCYPGHMQSNQB-UHFFFAOYSA-N
XLogP3.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide (CID 728735) is 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide is Cc1nc(Oc2ccc(F)cc2)c(C(N)=O)c(C)c1Cl.
What is the InChIKey of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is SCRCYPGHMQSNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-7-11(13(17)19)14(18-8(2)12(7)15)20-10-5-3-9(16)4-6-10/h3-6H,1-2H3,(H2,17,19).
What are the key properties of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide?
5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 728735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).