N-(5-chloro-2-pyridinyl)-2-fluoroacetamide

C7H6ClFN2O — CID 13343131

IUPACN-(5-chloro-2-pyridinyl)-2-fluoroacetamide
SMILESO=C(CF)Nc1ccc(Cl)cn1
InChIInChI=1S/C7H6ClFN2O/c8-5-1-2-6(10-4-5)11-7(12)3-9/h1-2,4H,3H2,(H,10,11,12)
InChIKeyPHRYAKYHWVARRE-UHFFFAOYSA-N
MW188.59 g/mol
LogP1.64
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-2-fluoroacetamide

N-(5-chloro-2-pyridinyl)-2-fluoroacetamide (PubChem CID 13343131) has the molecular formula C7H6ClFN2O and a molecular weight of 188.59 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-fluoroacetamide
PubChem CID13343131
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59 g/mol
Exact Mass188.02
IUPAC NameN-(5-chloro-2-pyridinyl)-2-fluoroacetamide
SMILESO=C(CF)Nc1ccc(Cl)cn1
InChIInChI=1S/C7H6ClFN2O/c8-5-1-2-6(10-4-5)11-7(12)3-9/h1-2,4H,3H2,(H,10,11,12)
InChIKeyPHRYAKYHWVARRE-UHFFFAOYSA-N
XLogP1.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-fluoroacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-fluoroacetamide (CID 13343131) is N-(5-chloro-2-pyridinyl)-2-fluoroacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-fluoroacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-fluoroacetamide is O=C(CF)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-fluoroacetamide?
The InChIKey is PHRYAKYHWVARRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O/c8-5-1-2-6(10-4-5)11-7(12)3-9/h1-2,4H,3H2,(H,10,11,12).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-fluoroacetamide?
N-(5-chloro-2-pyridinyl)-2-fluoroacetamide has a molecular weight of 188.59 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-fluoroacetamide is sourced from PubChem (CID 13343131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).