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

C14H12ClFN2O2 — CID 28938472

IUPACethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O2/c1-2-20-14(19)10-4-3-7-17-13(10)18-9-5-6-12(16)11(15)8-9/h3-8H,2H2,1H3,(H,17,18)
InChIKeyMSAANULLGSHJND-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.79
Rot. Bonds4

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

ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate (PubChem CID 28938472) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
PubChem CID28938472
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Nameethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O2/c1-2-20-14(19)10-4-3-7-17-13(10)18-9-5-6-12(16)11(15)8-9/h3-8H,2H2,1H3,(H,17,18)
InChIKeyMSAANULLGSHJND-UHFFFAOYSA-N
XLogP3.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
CID 19085386
ethane;ethyl 2-[4-[(2-amino-3-ethynyl-4-pyridinyl)oxy]-3-fluoroanilino]pyridine-3-carboxylate
CID 143436383
ethyl 4-[[2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112904186
ethyl 5-benzyl-4-(3-chloro-4-fluoroanilino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 68890652
ethyl 4-(3-chloro-4-fluoroanilino)-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxylate;hydrochloride
CID 141134552
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
CID 23633120
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
CID 53151387

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate (CID 28938472) is ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is MSAANULLGSHJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-2-20-14(19)10-4-3-7-17-13(10)18-9-5-6-12(16)11(15)8-9/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate?
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 294.71 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 28938472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).