benzyl 4-amino-5-fluoropyridine-2-carboxylate

C13H11FN2O2 — CID 150520405

IUPACbenzyl 4-amino-5-fluoropyridine-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccccc2)ncc1F
InChIInChI=1S/C13H11FN2O2/c14-10-7-16-12(6-11(10)15)13(17)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16)
InChIKeyIBSFTYMZGFLOOU-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.16
Rot. Bonds3

About benzyl 4-amino-5-fluoropyridine-2-carboxylate

benzyl 4-amino-5-fluoropyridine-2-carboxylate (PubChem CID 150520405) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is benzyl 4-amino-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-amino-5-fluoropyridine-2-carboxylate
PubChem CID150520405
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namebenzyl 4-amino-5-fluoropyridine-2-carboxylate
SMILESNc1cc(C(=O)OCc2ccccc2)ncc1F
InChIInChI=1S/C13H11FN2O2/c14-10-7-16-12(6-11(10)15)13(17)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16)
InChIKeyIBSFTYMZGFLOOU-UHFFFAOYSA-N
XLogP2.16
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
4-amino-5-fluoropyridine-2-carboxylic acid
CID 121230968
benzyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957539
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614
benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 11639750
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
(3-bromo-4-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81316508
benzyl 4-(2-hydroxypropan-2-yl)pyridine-2-carboxylate
CID 167031341
dibenzyl pyridine-3,5-dicarboxylate
CID 71230133
2-fluoro-4-phenylmethoxycarbonylbenzoic acid
CID 59295092
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-5-fluoropyridine-2-carboxylate?
The IUPAC name of benzyl 4-amino-5-fluoropyridine-2-carboxylate (CID 150520405) is benzyl 4-amino-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for benzyl 4-amino-5-fluoropyridine-2-carboxylate?
The canonical SMILES for benzyl 4-amino-5-fluoropyridine-2-carboxylate is Nc1cc(C(=O)OCc2ccccc2)ncc1F.
What is the InChIKey of benzyl 4-amino-5-fluoropyridine-2-carboxylate?
The InChIKey is IBSFTYMZGFLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-7-16-12(6-11(10)15)13(17)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16).
What are the key properties of benzyl 4-amino-5-fluoropyridine-2-carboxylate?
benzyl 4-amino-5-fluoropyridine-2-carboxylate has a molecular weight of 246.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 150520405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).