tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate

C16H17FN2O2 — CID 173186178

IUPACtert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2cccc(F)c2)ccn1
InChIInChI=1S/C16H17FN2O2/c1-16(2,3)21-15(20)19-14-10-12(7-8-18-14)11-5-4-6-13(17)9-11/h4-10H,1-3H3,(H,18,19,20)
InChIKeyWHEOSVMKXGGJQP-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.23
Rot. Bonds2

About tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate

tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate (PubChem CID 173186178) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
PubChem CID173186178
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nametert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2cccc(F)c2)ccn1
InChIInChI=1S/C16H17FN2O2/c1-16(2,3)21-15(20)19-14-10-12(7-8-18-14)11-5-4-6-13(17)9-11/h4-10H,1-3H3,(H,18,19,20)
InChIKeyWHEOSVMKXGGJQP-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080651
tert-butyl N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080649
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-[3-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219777
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
tert-butyl N-butan-2-yl-N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 71256566
1-(7-fluoroquinolin-4-yl)-2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]benzimidazole-4-carboxylic acid
CID 134362697
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] benzoate
CID 174480721
tert-butyl N-[4-[2-(4-fluorophenyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]carbamate
CID 169099891
1-(5-fluoroquinolin-4-yl)-2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]benzimidazole-4-carboxylic acid
CID 134362628

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate (CID 173186178) is tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(-c2cccc(F)c2)ccn1.
What is the InChIKey of tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
The InChIKey is WHEOSVMKXGGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-16(2,3)21-15(20)19-14-10-12(7-8-18-14)11-5-4-6-13(17)9-11/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate?
tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate has a molecular weight of 288.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate is sourced from PubChem (CID 173186178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).