1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

C10H8ClN3O — CID 154110164

IUPAC1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ncccc1Cl
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-5-13-10(7)14-6-2-4-8(14)9(12)15/h1-6H,(H2,12,15)
InChIKeyAHBXTSLJDWBWTL-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.62
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 154110164) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
PubChem CID154110164
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ncccc1Cl
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-5-13-10(7)14-6-2-4-8(14)9(12)15/h1-6H,(H2,12,15)
InChIKeyAHBXTSLJDWBWTL-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (CID 154110164) is 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is NC(=O)c1cccn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is AHBXTSLJDWBWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-3-1-5-13-10(7)14-6-2-4-8(14)9(12)15/h1-6H,(H2,12,15).
What are the key properties of 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 221.65 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154110164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).