N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide

C10H12ClFN2O — CID 155232298

IUPACN-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(Cl)cc(F)n1
InChIInChI=1S/C10H12ClFN2O/c1-3-6(2)13-10(15)8-4-7(11)5-9(12)14-8/h4-6H,3H2,1-2H3,(H,13,15)/t6-/m0/s1
InChIKeyTXXQQDWQOKHSIZ-LURJTMIESA-N
MW230.67 g/mol
LogP2.40
Rot. Bonds3

About N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide

N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide (PubChem CID 155232298) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide
PubChem CID155232298
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(Cl)cc(F)n1
InChIInChI=1S/C10H12ClFN2O/c1-3-6(2)13-10(15)8-4-7(11)5-9(12)14-8/h4-6H,3H2,1-2H3,(H,13,15)/t6-/m0/s1
InChIKeyTXXQQDWQOKHSIZ-LURJTMIESA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.40
H-Bond Donors ≤ 51
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 N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide (CID 155232298) is N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide is CC[C@H](C)NC(=O)c1cc(Cl)cc(F)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide?
The InChIKey is TXXQQDWQOKHSIZ-LURJTMIESA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-3-6(2)13-10(15)8-4-7(11)5-9(12)14-8/h4-6H,3H2,1-2H3,(H,13,15)/t6-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide?
N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide has a molecular weight of 230.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-chloro-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 155232298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).