6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide

C10H12BrFN2O — CID 154815363

IUPAC6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(F)c(Br)n1
InChIInChI=1S/C10H12BrFN2O/c1-3-14(4-2)10(15)8-6-5-7(12)9(11)13-8/h5-6H,3-4H2,1-2H3
InChIKeyCGRZTJQFQSCWDP-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.47
Rot. Bonds3

About 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide

6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide (PubChem CID 154815363) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide
PubChem CID154815363
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(F)c(Br)n1
InChIInChI=1S/C10H12BrFN2O/c1-3-14(4-2)10(15)8-6-5-7(12)9(11)13-8/h5-6H,3-4H2,1-2H3
InChIKeyCGRZTJQFQSCWDP-UHFFFAOYSA-N
XLogP2.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide (CID 154815363) is 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(F)c(Br)n1.
What is the InChIKey of 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide?
The InChIKey is CGRZTJQFQSCWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-3-14(4-2)10(15)8-6-5-7(12)9(11)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide?
6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide has a molecular weight of 275.12 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethyl-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 154815363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).