(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate

C13H10F2N2O2 — CID 105407614

IUPAC(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C13H10F2N2O2/c14-9-3-8(4-10(15)5-9)7-19-13(18)12-2-1-11(16)6-17-12/h1-6H,7,16H2
InChIKeyYJIXOHNAOUPREG-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.30
Rot. Bonds3

About (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate

(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate (PubChem CID 105407614) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
PubChem CID105407614
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2cc(F)cc(F)c2)nc1
InChIInChI=1S/C13H10F2N2O2/c14-9-3-8(4-10(15)5-9)7-19-13(18)12-2-1-11(16)6-17-12/h1-6H,7,16H2
InChIKeyYJIXOHNAOUPREG-UHFFFAOYSA-N
XLogP2.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-5-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317390
(3-bromo-4-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81316508
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
CID 81315987
(1-ethylpyrazol-4-yl)methyl 5-aminopyridine-2-carboxylate
CID 81315729
benzyl 4-amino-5-fluoropyridine-2-carboxylate
CID 150520405
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
butyl 5-aminopyridine-2-carboxylate
CID 81315833
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 102669607
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382
5-hydroxypentyl 5-aminopyridine-2-carboxylate
CID 81315730

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate?
The IUPAC name of (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate (CID 105407614) is (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCc2cc(F)cc(F)c2)nc1.
What is the InChIKey of (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate?
The InChIKey is YJIXOHNAOUPREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-9-3-8(4-10(15)5-9)7-19-13(18)12-2-1-11(16)6-17-12/h1-6H,7,16H2.
What are the key properties of (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate?
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 105407614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).