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

C9H9ClN2O — CID 686089

IUPACN-(5-chloro-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CC1
InChIInChI=1S/C9H9ClN2O/c10-7-3-4-8(11-5-7)12-9(13)6-1-2-6/h3-6H,1-2H2,(H,11,12,13)
InChIKeyMKGXSUZAVNEATI-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.08
Rot. Bonds2

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

N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide (PubChem CID 686089) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)cyclopropanecarboxamide
PubChem CID686089
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC NameN-(5-chloro-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CC1
InChIInChI=1S/C9H9ClN2O/c10-7-3-4-8(11-5-7)12-9(13)6-1-2-6/h3-6H,1-2H2,(H,11,12,13)
InChIKeyMKGXSUZAVNEATI-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.08
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)cyclopropanecarboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide (CID 686089) is N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide is O=C(Nc1ccc(Cl)cn1)C1CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide?
The InChIKey is MKGXSUZAVNEATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-3-4-8(11-5-7)12-9(13)6-1-2-6/h3-6H,1-2H2,(H,11,12,13).
What are the key properties of N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide?
N-(5-chloro-2-pyridinyl)cyclopropanecarboxamide has a molecular weight of 196.64 g/mol, XLogP of 2.08, 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)cyclopropanecarboxamide is sourced from PubChem (CID 686089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).