(2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride

C16H13ClN2O2 — CID 17479170

IUPAC(2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1c[nH]c(-c2ccccn2)c1)c1ccccc1O
InChIInChI=1S/C16H12N2O2.ClH/c19-15-7-2-1-5-12(15)16(20)11-9-14(18-10-11)13-6-3-4-8-17-13;/h1-10,18-19H;1H
InChIKeyCVZSDXXAABYENX-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.44
Rot. Bonds3

About (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride

(2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride (PubChem CID 17479170) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride
PubChem CID17479170
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1c[nH]c(-c2ccccn2)c1)c1ccccc1O
InChIInChI=1S/C16H12N2O2.ClH/c19-15-7-2-1-5-12(15)16(20)11-9-14(18-10-11)13-6-3-4-8-17-13;/h1-10,18-19H;1H
InChIKeyCVZSDXXAABYENX-UHFFFAOYSA-N
XLogP3.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride?
The IUPAC name of (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride (CID 17479170) is (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride.
What is the SMILES notation for (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride?
The canonical SMILES for (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride is Cl.O=C(c1c[nH]c(-c2ccccn2)c1)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride?
The InChIKey is CVZSDXXAABYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2.ClH/c19-15-7-2-1-5-12(15)16(20)11-9-14(18-10-11)13-6-3-4-8-17-13;/h1-10,18-19H;1H.
What are the key properties of (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride?
(2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride has a molecular weight of 300.75 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 17479170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).