ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate

C15H14ClFN2O2 — CID 90829154

IUPACethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1Nc1c(F)cc(C)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-3-21-15(20)10-8-18-5-4-13(10)19-14-11(16)6-9(2)7-12(14)17/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyYARLHJCRVRMRDN-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.10
Rot. Bonds4

About ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate

ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate (PubChem CID 90829154) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate
PubChem CID90829154
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Nameethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1Nc1c(F)cc(C)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-3-21-15(20)10-8-18-5-4-13(10)19-14-11(16)6-9(2)7-12(14)17/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyYARLHJCRVRMRDN-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate (CID 90829154) is ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate is CCOC(=O)c1cnccc1Nc1c(F)cc(C)cc1Cl.
What is the InChIKey of ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate?
The InChIKey is YARLHJCRVRMRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-3-21-15(20)10-8-18-5-4-13(10)19-14-11(16)6-9(2)7-12(14)17/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate?
ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate has a molecular weight of 308.74 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chloro-6-fluoro-4-methylanilino)pyridine-3-carboxylate is sourced from PubChem (CID 90829154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).