methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate

C13H11ClFN3O2 — CID 107531028

IUPACmethyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2/c1-20-13(19)10-5-4-9(16)12(17-10)18-11-6-7(15)2-3-8(11)14/h2-6H,16H2,1H3,(H,17,18)
InChIKeyBGTAPPBSAKIBRS-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.99
Rot. Bonds3

About methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate

methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate (PubChem CID 107531028) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
PubChem CID107531028
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Namemethyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H11ClFN3O2/c1-20-13(19)10-5-4-9(16)12(17-10)18-11-6-7(15)2-3-8(11)14/h2-6H,16H2,1H3,(H,17,18)
InChIKeyBGTAPPBSAKIBRS-UHFFFAOYSA-N
XLogP2.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-6-(4-fluoro-2-iodoanilino)pyridine-2-carboxylate
CID 114407006
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
methyl 5-amino-6-(2-cyano-4-fluoroanilino)pyridine-2-carboxylate
CID 114407384
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-[(5-fluoro-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114254932
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
methyl 5-amino-6-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carboxylate
CID 107593608
methyl 5-(2-chloro-5-fluoroanilino)-6-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 167512587
5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107637898
methyl 2-amino-3-(2-chloro-5-fluoroanilino)benzoate
CID 107531013
methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate (CID 107531028) is methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate?
The InChIKey is BGTAPPBSAKIBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-20-13(19)10-5-4-9(16)12(17-10)18-11-6-7(15)2-3-8(11)14/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate?
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate has a molecular weight of 295.70 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate is sourced from PubChem (CID 107531028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).