methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate

C14H12ClFN2O2 — CID 107528321

IUPACmethyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2cc(F)ccc2Cl)nc1
InChIInChI=1S/C14H12ClFN2O2/c1-20-14(19)9-2-4-11(17-7-9)8-18-13-6-10(16)3-5-12(13)15/h2-7,18H,8H2,1H3
InChIKeyFYYFJDOWHYXITQ-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.27
Rot. Bonds4

About methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate

methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate (PubChem CID 107528321) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
PubChem CID107528321
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Namemethyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2cc(F)ccc2Cl)nc1
InChIInChI=1S/C14H12ClFN2O2/c1-20-14(19)9-2-4-11(17-7-9)8-18-13-6-10(16)3-5-12(13)15/h2-7,18H,8H2,1H3
InChIKeyFYYFJDOWHYXITQ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
CID 107634700
methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107611454
methyl 3-bromo-4-[(2-chloro-5-fluoroanilino)methyl]benzoate
CID 107528340
methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen
CID 145238567
methyl 6-[(2-bromo-4-chloroanilino)methyl]pyridine-3-carboxylate
CID 81270988
methyl 4-chloro-3-[(2,5-difluorophenyl)methylamino]benzoate
CID 43714708
methyl 4-chloro-3-[(2-chloropyrimidin-5-yl)methylamino]benzoate
CID 156753170
methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860
methyl 4-chloro-3-[(3-chloro-5-fluorophenyl)methylamino]benzoate
CID 114452449
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate (CID 107528321) is methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2cc(F)ccc2Cl)nc1.
What is the InChIKey of methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate?
The InChIKey is FYYFJDOWHYXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-20-14(19)9-2-4-11(17-7-9)8-18-13-6-10(16)3-5-12(13)15/h2-7,18H,8H2,1H3.
What are the key properties of methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate?
methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate has a molecular weight of 294.71 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 107528321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).