2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid

C15H14FN3O3 — CID 170602524

IUPAC2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid
SMILESC/N=C(\C(=O)O)c1cc(OCc2cccnc2F)ccc1N
InChIInChI=1S/C15H14FN3O3/c1-18-13(15(20)21)11-7-10(4-5-12(11)17)22-8-9-3-2-6-19-14(9)16/h2-7H,8,17H2,1H3,(H,20,21)/b18-13-
InChIKeyFAHILVQXPGJMTB-AQTBWJFISA-N
MW303.29 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid

2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid (PubChem CID 170602524) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid.

Molecular Properties

Compound Name2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid
PubChem CID170602524
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid
SMILESC/N=C(\C(=O)O)c1cc(OCc2cccnc2F)ccc1N
InChIInChI=1S/C15H14FN3O3/c1-18-13(15(20)21)11-7-10(4-5-12(11)17)22-8-9-3-2-6-19-14(9)16/h2-7H,8,17H2,1H3,(H,20,21)/b18-13-
InChIKeyFAHILVQXPGJMTB-AQTBWJFISA-N
XLogP1.89
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methylimino-N-(1-methylpyrazol-3-yl)acetamide
CID 170602709
2-[2-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyliminoacetamide
CID 170417941
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
2-[2-amino-5-[(2-fluorophenyl)methoxy]phenyl]-N-[2-formyl-1-hydroxy-4-(methylamino)butan-2-yl]-2-methyliminoacetamide
CID 170602950
2-[2-amino-5-[(Z)-3-amino-2-sulfanylbut-2-enoxy]phenyl]-2-methyliminoacetamide
CID 170602800
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-2-methylimino-N-(1-methylpiperidin-4-yl)acetamide
CID 170416750
CID 170602603
CID 170602603
2-[2-amino-5-(pyridin-2-ylmethoxy)phenyl]-N-(3,3-difluoropiperidin-4-yl)-2-methyliminoacetamide
CID 170418557
2-(2-amino-5-phenylmethoxyphenyl)-N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2-methyliminoacetamide
CID 170602908
2-[2-amino-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-2-methyliminoacetamide;2-fluoro-1-methyl-1λ5-stibacycloprop-3-en-1-amine
CID 170602715
2-[2-amino-5-[(2-methylpyrazol-3-yl)methoxy]phenyl]-2-methylimino-N-(2-methyl-1-oxopropan-2-yl)acetamide
CID 170602937
methyl 2-amino-6-[(4-bromo-3-fluorophenoxy)methyl]benzoate
CID 104825528

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid?
The IUPAC name of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid (CID 170602524) is 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid.
What is the SMILES notation for 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid?
The canonical SMILES for 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid is C/N=C(\C(=O)O)c1cc(OCc2cccnc2F)ccc1N.
What is the InChIKey of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid?
The InChIKey is FAHILVQXPGJMTB-AQTBWJFISA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-18-13(15(20)21)11-7-10(4-5-12(11)17)22-8-9-3-2-6-19-14(9)16/h2-7H,8,17H2,1H3,(H,20,21)/b18-13-.
What are the key properties of 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid?
2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid has a molecular weight of 303.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(2-fluoro-3-pyridinyl)methoxy]phenyl]-2-methyliminoacetic acid is sourced from PubChem (CID 170602524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).