ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate

C14H13ClFN3O2 — CID 107531011

IUPACethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2cc(F)ccc2Cl)c1N
InChIInChI=1S/C14H13ClFN3O2/c1-2-21-14(20)9-5-6-18-13(12(9)17)19-11-7-8(16)3-4-10(11)15/h3-7H,2,17H2,1H3,(H,18,19)
InChIKeyYABVSPSRBWGDHM-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.38
Rot. Bonds4

About ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate

ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate (PubChem CID 107531011) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate
PubChem CID107531011
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Nameethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(Nc2cc(F)ccc2Cl)c1N
InChIInChI=1S/C14H13ClFN3O2/c1-2-21-14(20)9-5-6-18-13(12(9)17)19-11-7-8(16)3-4-10(11)15/h3-7H,2,17H2,1H3,(H,18,19)
InChIKeyYABVSPSRBWGDHM-UHFFFAOYSA-N
XLogP3.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
CID 81280660
ethyl 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19153895
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
methyl 2-amino-3-(2-chloro-5-fluoroanilino)benzoate
CID 107531013
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
ethyl 4-fluoro-2-hydrazinylbenzoate
CID 131143965
methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate
CID 107809760
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 2-amino-3-(4-chloro-3-fluoroanilino)benzoate
CID 115545226
ethyl 2-[[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19149867
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate (CID 107531011) is ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate is CCOC(=O)c1ccnc(Nc2cc(F)ccc2Cl)c1N.
What is the InChIKey of ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate?
The InChIKey is YABVSPSRBWGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-2-21-14(20)9-5-6-18-13(12(9)17)19-11-7-8(16)3-4-10(11)15/h3-7H,2,17H2,1H3,(H,18,19).
What are the key properties of ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate?
ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate has a molecular weight of 309.73 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate is sourced from PubChem (CID 107531011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).