methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate

C14H12ClFN2O3 — CID 165443753

IUPACmethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(-c2ccc(Cl)c(OC)c2F)n1
InChIInChI=1S/C14H12ClFN2O3/c1-20-13-9(15)4-3-8(12(13)16)10-5-7(17)6-11(18-10)14(19)21-2/h3-6H,1-2H3,(H2,17,18)
InChIKeyLHKDIEJPIYCDKH-UHFFFAOYSA-N
MW310.71 g/mol
LogP2.92
Rot. Bonds3

About methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate

methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate (PubChem CID 165443753) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
PubChem CID165443753
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Namemethyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(-c2ccc(Cl)c(OC)c2F)n1
InChIInChI=1S/C14H12ClFN2O3/c1-20-13-9(15)4-3-8(12(13)16)10-5-7(17)6-11(18-10)14(19)21-2/h3-6H,1-2H3,(H2,17,18)
InChIKeyLHKDIEJPIYCDKH-UHFFFAOYSA-N
XLogP2.92
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-methylpyridine-2-carboxylate
CID 138549772
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
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
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
methyl 6-amino-5-bromo-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylate
CID 59432116
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-fluoroprop-2-enoxy)ethanone
CID 158247389
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
CID 66766863
methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate
CID 147624077
methyl 6-amino-2-(4-chloro-2-fluoro-3-methoxyphenyl)-5-(1-fluoroethenyl)pyrimidine-4-carboxylate
CID 59432106
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
CID 148662657
methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
CID 71150711
6-(4-amino-3-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
CID 90457967

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate (CID 165443753) is methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate is COC(=O)c1cc(N)cc(-c2ccc(Cl)c(OC)c2F)n1.
What is the InChIKey of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
The InChIKey is LHKDIEJPIYCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-20-13-9(15)4-3-8(12(13)16)10-5-7(17)6-11(18-10)14(19)21-2/h3-6H,1-2H3,(H2,17,18).
What are the key properties of methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate?
methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate has a molecular weight of 310.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 165443753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).