N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide

C11H14BrFN2O — CID 104643211

IUPACN-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
SMILESCC(Br)CC(C)NC(=O)c1ccc(F)cn1
InChIInChI=1S/C11H14BrFN2O/c1-7(12)5-8(2)15-11(16)10-4-3-9(13)6-14-10/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyRVNTUOCKBKWUFM-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.51
Rot. Bonds4

About N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide

N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide (PubChem CID 104643211) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
PubChem CID104643211
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
SMILESCC(Br)CC(C)NC(=O)c1ccc(F)cn1
InChIInChI=1S/C11H14BrFN2O/c1-7(12)5-8(2)15-11(16)10-4-3-9(13)6-14-10/h3-4,6-8H,5H2,1-2H3,(H,15,16)
InChIKeyRVNTUOCKBKWUFM-UHFFFAOYSA-N
XLogP2.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 104638404
5-amino-N-(4-methylpentan-2-yl)pyridine-2-carboxamide
CID 81315869
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104638117
N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
CID 106288255
methyl 2-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]propanoate
CID 103492499
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
CID 104643141
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109181549
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide (CID 104643211) is N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide is CC(Br)CC(C)NC(=O)c1ccc(F)cn1.
What is the InChIKey of N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide?
The InChIKey is RVNTUOCKBKWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(12)5-8(2)15-11(16)10-4-3-9(13)6-14-10/h3-4,6-8H,5H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide?
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide has a molecular weight of 289.15 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104643211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).