N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide

C10H12ClFN2O — CID 175560491

IUPACN-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-6(15)14-10(2,3)9-7(12)4-5-8(11)13-9/h4-5H,1-3H3,(H,14,15)
InChIKeyUCVKYSHNVMOMKX-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.25
Rot. Bonds2

About N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide

N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide (PubChem CID 175560491) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide
PubChem CID175560491
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1nc(Cl)ccc1F
InChIInChI=1S/C10H12ClFN2O/c1-6(15)14-10(2,3)9-7(12)4-5-8(11)13-9/h4-5H,1-3H3,(H,14,15)
InChIKeyUCVKYSHNVMOMKX-UHFFFAOYSA-N
XLogP2.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.25
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-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide?
The IUPAC name of N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide (CID 175560491) is N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide?
The canonical SMILES for N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide is CC(=O)NC(C)(C)c1nc(Cl)ccc1F.
What is the InChIKey of N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide?
The InChIKey is UCVKYSHNVMOMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-6(15)14-10(2,3)9-7(12)4-5-8(11)13-9/h4-5H,1-3H3,(H,14,15).
What are the key properties of N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide?
N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide has a molecular weight of 230.67 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-3-fluoro-2-pyridinyl)propan-2-yl]acetamide is sourced from PubChem (CID 175560491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).