methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate

C16H14Cl2F2N2O2 — CID 68599293

IUPACmethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
SMILESCCC(F)c1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)c1F
InChIInChI=1S/C16H14Cl2F2N2O2/c1-3-9(19)12-8(17)5-4-7(14(12)20)11-6-10(21)13(18)15(22-11)16(23)24-2/h4-6,9H,3H2,1-2H3,(H2,21,22)
InChIKeyGGMUUGUHHYGBIW-UHFFFAOYSA-N
MW375.20 g/mol
LogP4.98
Rot. Bonds4

About methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate (PubChem CID 68599293) has the molecular formula C16H14Cl2F2N2O2 and a molecular weight of 375.20 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
PubChem CID68599293
Molecular FormulaC16H14Cl2F2N2O2
Molecular Weight375.20 g/mol
Exact Mass374.04
IUPAC Namemethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
SMILESCCC(F)c1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)c1F
InChIInChI=1S/C16H14Cl2F2N2O2/c1-3-9(19)12-8(17)5-4-7(14(12)20)11-6-10(21)13(18)15(22-11)16(23)24-2/h4-6,9H,3H2,1-2H3,(H2,21,22)
InChIKeyGGMUUGUHHYGBIW-UHFFFAOYSA-N
XLogP4.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355
methyl 4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68596863
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 54576070
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
CID 66766863

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate (CID 68599293) is methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate is CCC(F)c1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)c1F.
What is the InChIKey of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate?
The InChIKey is GGMUUGUHHYGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O2/c1-3-9(19)12-8(17)5-4-7(14(12)20)11-6-10(21)13(18)15(22-11)16(23)24-2/h4-6,9H,3H2,1-2H3,(H2,21,22).
What are the key properties of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate has a molecular weight of 375.20 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 68599293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).