benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate

C13H12FN3O2 — CID 130287830

IUPACbenzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
SMILESNc1cc(NC(=O)OCc2ccccc2)ncc1F
InChIInChI=1S/C13H12FN3O2/c14-10-7-16-12(6-11(10)15)17-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,16,17,18)
InChIKeyJZFMZCIETRCHPV-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.55
Rot. Bonds3

About benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate

benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate (PubChem CID 130287830) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
PubChem CID130287830
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Namebenzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
SMILESNc1cc(NC(=O)OCc2ccccc2)ncc1F
InChIInChI=1S/C13H12FN3O2/c14-10-7-16-12(6-11(10)15)17-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,16,17,18)
InChIKeyJZFMZCIETRCHPV-UHFFFAOYSA-N
XLogP2.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-amino-5-fluoropyridine-2-carboxylate
CID 150520405
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
CID 167736278
benzyl N-[2-(2,2-dimethyl-1,3-dioxol-4-yl)-5-fluoro-4-pyridinyl]carbamate
CID 171478557
benzyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586385
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate
CID 22078398
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
CID 63643408
benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
CID 121232006
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate?
The IUPAC name of benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate (CID 130287830) is benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate is Nc1cc(NC(=O)OCc2ccccc2)ncc1F.
What is the InChIKey of benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate?
The InChIKey is JZFMZCIETRCHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-10-7-16-12(6-11(10)15)17-13(18)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,16,17,18).
What are the key properties of benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate?
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate has a molecular weight of 261.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate is sourced from PubChem (CID 130287830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).