N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide

C11H9ClN2O2 — CID 11651603

IUPACN-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-7-3-4-10(15)9(6-7)14-11(16)8-2-1-5-13-8/h1-6,13,15H,(H,14,16)
InChIKeyTYVNSZLKOLJGFQ-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.63
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 11651603) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID11651603
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc[nH]1
InChIInChI=1S/C11H9ClN2O2/c12-7-3-4-10(15)9(6-7)14-11(16)8-2-1-5-13-8/h1-6,13,15H,(H,14,16)
InChIKeyTYVNSZLKOLJGFQ-UHFFFAOYSA-N
XLogP2.63
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide (CID 11651603) is N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccc[nH]1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is TYVNSZLKOLJGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-7-3-4-10(15)9(6-7)14-11(16)8-2-1-5-13-8/h1-6,13,15H,(H,14,16).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 11651603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).