N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide

C11H15FN2O — CID 90777305

IUPACN-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(CF)nc1
InChIInChI=1S/C11H15FN2O/c1-11(2,3)14-10(15)8-4-5-9(6-12)13-7-8/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyVBJGZZDQKZNRIE-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.08
Rot. Bonds2

About N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide

N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide (PubChem CID 90777305) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide
PubChem CID90777305
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(CF)nc1
InChIInChI=1S/C11H15FN2O/c1-11(2,3)14-10(15)8-4-5-9(6-12)13-7-8/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyVBJGZZDQKZNRIE-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide (CID 90777305) is N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(CF)nc1.
What is the InChIKey of N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide?
The InChIKey is VBJGZZDQKZNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2,3)14-10(15)8-4-5-9(6-12)13-7-8/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide?
N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide has a molecular weight of 210.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(fluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90777305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).