methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate

C14H8ClF3N2O3 — CID 90408725

IUPACmethyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C=O)c(F)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C14H8ClF3N2O3/c1-23-14(22)13-7(15)11(19)10(18)12(20-13)6-3-2-5(4-21)8(16)9(6)17/h2-4H,1H3,(H2,19,20)
InChIKeyKEAKTSIHENLLPO-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.00
Rot. Bonds3

About methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate (PubChem CID 90408725) has the molecular formula C14H8ClF3N2O3 and a molecular weight of 344.68 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
PubChem CID90408725
Molecular FormulaC14H8ClF3N2O3
Molecular Weight344.68 g/mol
Exact Mass344.02
IUPAC Namemethyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C=O)c(F)c2F)c(F)c(N)c1Cl
InChIInChI=1S/C14H8ClF3N2O3/c1-23-14(22)13-7(15)11(19)10(18)12(20-13)6-3-2-5(4-21)8(16)9(6)17/h2-4H,1H3,(H2,19,20)
InChIKeyKEAKTSIHENLLPO-UHFFFAOYSA-N
XLogP3.00
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-7-yl)pyridine-2-carboxylate
CID 90451080
methyl 4-amino-3-chloro-5-fluoro-6-(1H-indazol-4-yl)pyridine-2-carboxylate
CID 90451077
methyl 4-amino-6-(1-benzothiophen-4-yl)-3-chloro-5-fluoropyridine-2-carboxylate
CID 90451064
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 4-amino-3-chloro-5-fluoro-6-prop-2-enylpyridine-2-carboxylate
CID 118125607
4-amino-6-(4-bromo-2,3-difluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440347
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide
CID 59471260
methyl 4-amino-6-(2-amino-5-chloro-3-fluorophenyl)-3,5-dichloropyridine-2-carboxylate
CID 67974861
methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
CID 175232153
methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
CID 126609387
(2-methoxycarbonylphenyl)methyl 4-amino-3-chloro-5-fluoro-6-[2-fluoro-4-(iodomethyl)-3-methoxyphenyl]pyridine-2-carboxylate
CID 118258665

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate (CID 90408725) is methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C=O)c(F)c2F)c(F)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate?
The InChIKey is KEAKTSIHENLLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O3/c1-23-14(22)13-7(15)11(19)10(18)12(20-13)6-3-2-5(4-21)8(16)9(6)17/h2-4H,1H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate has a molecular weight of 344.68 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(2,3-difluoro-4-formylphenyl)-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 90408725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).