methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate

C14H11BrClFN2O2 — CID 107611454

IUPACmethyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2c(Cl)cc(F)cc2Br)nc1
InChIInChI=1S/C14H11BrClFN2O2/c1-21-14(20)8-2-3-10(18-6-8)7-19-13-11(15)4-9(17)5-12(13)16/h2-6,19H,7H2,1H3
InChIKeyFDLZLXKLOPSWEI-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.04
Rot. Bonds4

About methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate

methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate (PubChem CID 107611454) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate
PubChem CID107611454
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC Namemethyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2c(Cl)cc(F)cc2Br)nc1
InChIInChI=1S/C14H11BrClFN2O2/c1-21-14(20)8-2-3-10(18-6-8)7-19-13-11(15)4-9(17)5-12(13)16/h2-6,19H,7H2,1H3
InChIKeyFDLZLXKLOPSWEI-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(2-chloro-5-fluoroanilino)methyl]pyridine-3-carboxylate
CID 107528321
methyl 6-[(2-bromo-4-chloroanilino)methyl]pyridine-3-carboxylate
CID 81270988
methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
CID 107634700
methyl 6-[(3-fluoroanilino)methyl]pyridine-3-carboxylate;molecular hydrogen
CID 145238567
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 103867801
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
5-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 107611541
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate (CID 107611454) is methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2c(Cl)cc(F)cc2Br)nc1.
What is the InChIKey of methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate?
The InChIKey is FDLZLXKLOPSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c1-21-14(20)8-2-3-10(18-6-8)7-19-13-11(15)4-9(17)5-12(13)16/h2-6,19H,7H2,1H3.
What are the key properties of methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate?
methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate has a molecular weight of 373.61 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 107611454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).