methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate

C10H13FN2O2 — CID 134168238

IUPACmethyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ncc(F)cc1C(C)C
InChIInChI=1S/C10H13FN2O2/c1-6(2)8-4-7(11)5-12-9(8)13-10(14)15-3/h4-6H,1-3H3,(H,12,13,14)
InChIKeyFLPLFMYAXHKJKZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.52
Rot. Bonds2

About methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate

methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate (PubChem CID 134168238) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate
PubChem CID134168238
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Namemethyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ncc(F)cc1C(C)C
InChIInChI=1S/C10H13FN2O2/c1-6(2)8-4-7(11)5-12-9(8)13-10(14)15-3/h4-6H,1-3H3,(H,12,13,14)
InChIKeyFLPLFMYAXHKJKZ-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 808376
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CID 69081573
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CID 808383
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CID 239208
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CID 11063648
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CID 653592
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CID 235153
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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate (CID 134168238) is methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate is COC(=O)Nc1ncc(F)cc1C(C)C.
What is the InChIKey of methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate?
The InChIKey is FLPLFMYAXHKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(2)8-4-7(11)5-12-9(8)13-10(14)15-3/h4-6H,1-3H3,(H,12,13,14).
What are the key properties of methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate?
methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate has a molecular weight of 212.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-fluoro-3-propan-2-yl-2-pyridinyl)carbamate is sourced from PubChem (CID 134168238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).