(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate

C14H13FN2O3 — CID 63985128

IUPAC(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate
SMILESCOc1cccc(COC(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C14H13FN2O3/c1-19-13-4-2-3-10(17-13)8-20-14(18)11-7-9(15)5-6-12(11)16/h2-7H,8,16H2,1H3
InChIKeySIVAJJLZUNRDLA-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.17
Rot. Bonds4

About (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate

(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate (PubChem CID 63985128) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate.

Molecular Properties

Compound Name(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate
PubChem CID63985128
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate
SMILESCOc1cccc(COC(=O)c2cc(F)ccc2N)n1
InChIInChI=1S/C14H13FN2O3/c1-19-13-4-2-3-10(17-13)8-20-14(18)11-7-9(15)5-6-12(11)16/h2-7H,8,16H2,1H3
InChIKeySIVAJJLZUNRDLA-UHFFFAOYSA-N
XLogP2.17
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-2-pyridinyl)methyl 5-amino-2,4-difluorobenzoate
CID 63984933
(6-methoxy-2-pyridinyl)methyl 2,3-dimethylbenzoate
CID 71876372
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226
methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
2-fluoroethyl 2-amino-5-fluorobenzoate
CID 79078827
(6-ethoxy-2-pyridinyl)methyl 5-fluoropyridine-2-carboxylate
CID 84600222
2-[(6-methoxy-2-pyridinyl)methoxy]-4-methylaniline
CID 63991349
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
(6-methoxy-2-pyridinyl)methanesulfonamide
CID 63984915

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate?
The IUPAC name of (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate (CID 63985128) is (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate.
What is the SMILES notation for (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate?
The canonical SMILES for (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate is COc1cccc(COC(=O)c2cc(F)ccc2N)n1.
What is the InChIKey of (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate?
The InChIKey is SIVAJJLZUNRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-19-13-4-2-3-10(17-13)8-20-14(18)11-7-9(15)5-6-12(11)16/h2-7H,8,16H2,1H3.
What are the key properties of (6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate?
(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate has a molecular weight of 276.27 g/mol, XLogP of 2.17, 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 2-amino-5-fluorobenzoate is sourced from PubChem (CID 63985128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).