N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide

C11H12ClFN2O — CID 104786596

IUPACN-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1cncc(F)c1
InChIInChI=1S/C11H12ClFN2O/c12-10(7-1-2-7)6-15-11(16)8-3-9(13)5-14-4-8/h3-5,7,10H,1-2,6H2,(H,15,16)
InChIKeyHVPZLOZYDJSAAD-UHFFFAOYSA-N
MW242.68 g/mol
LogP1.97
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide

N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide (PubChem CID 104786596) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
PubChem CID104786596
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1cncc(F)c1
InChIInChI=1S/C11H12ClFN2O/c12-10(7-1-2-7)6-15-11(16)8-3-9(13)5-14-4-8/h3-5,7,10H,1-2,6H2,(H,15,16)
InChIKeyHVPZLOZYDJSAAD-UHFFFAOYSA-N
XLogP1.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 51.97
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

N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104785629
N-(2-chloro-2-cyclopropylethyl)-4-iodobenzamide
CID 114304978
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
CID 63851883
4-bromo-N-(2-chloro-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114305229
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
5-bromo-N-(2-chloro-2-cyclopropylethyl)thiophene-3-carboxamide
CID 107966074
N-(2-cyclopropylpropyl)-5-hydroxypyridine-3-carboxamide
CID 115622011
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
N-(2-chloro-2-cyclopropylethyl)furan-3-carboxamide
CID 114305001

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide (CID 104786596) is N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide is O=C(NCC(Cl)C1CC1)c1cncc(F)c1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is HVPZLOZYDJSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-10(7-1-2-7)6-15-11(16)8-3-9(13)5-14-4-8/h3-5,7,10H,1-2,6H2,(H,15,16).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide?
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 242.68 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).