(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate

C14H12F2N2O3 — CID 63984933

IUPAC(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate
SMILESCOc1cccc(COC(=O)c2cc(N)c(F)cc2F)n1
InChIInChI=1S/C14H12F2N2O3/c1-20-13-4-2-3-8(18-13)7-21-14(19)9-5-12(17)11(16)6-10(9)15/h2-6H,7,17H2,1H3
InChIKeyNNJLHZQNGQIJFA-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.31
Rot. Bonds4

About (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate

(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate (PubChem CID 63984933) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate.

Molecular Properties

Compound Name(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate
PubChem CID63984933
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate
SMILESCOc1cccc(COC(=O)c2cc(N)c(F)cc2F)n1
InChIInChI=1S/C14H12F2N2O3/c1-20-13-4-2-3-8(18-13)7-21-14(19)9-5-12(17)11(16)6-10(9)15/h2-6H,7,17H2,1H3
InChIKeyNNJLHZQNGQIJFA-UHFFFAOYSA-N
XLogP2.31
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate
CID 63985128
(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate
CID 71876372
(2,3-difluorophenyl)methyl 5-amino-2,4-difluorobenzoate
CID 61315619
(4-methoxyphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 104700445
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
4-methoxybutyl 5-amino-2,4-difluorobenzoate
CID 113437092
(5-methyl-3-pyridinyl)methyl 5-amino-2,4-difluorobenzoate
CID 102878379
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
(3-bromo-4-fluorophenyl)methyl 5-amino-2,4-difluorobenzoate
CID 61316764
(6-methoxy-2-pyridinyl)methanesulfonamide
CID 63984915
[3-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 112613122
3-fluoro-4-[(6-methoxy-2-pyridinyl)methoxy]benzenesulfonamide
CID 82913722

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate?
The IUPAC name of (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate (CID 63984933) is (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate.
What is the SMILES notation for (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate?
The canonical SMILES for (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate is COc1cccc(COC(=O)c2cc(N)c(F)cc2F)n1.
What is the InChIKey of (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate?
The InChIKey is NNJLHZQNGQIJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-20-13-4-2-3-8(18-13)7-21-14(19)9-5-12(17)11(16)6-10(9)15/h2-6H,7,17H2,1H3.
What are the key properties of (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate?
(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate has a molecular weight of 294.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate is sourced from PubChem (CID 63984933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).