(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol

C11H12N2O — CID 116828806

IUPAC(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol
SMILESCc1[nH]c(-c2ccncc2)cc1CO
InChIInChI=1S/C11H12N2O/c1-8-10(7-14)6-11(13-8)9-2-4-12-5-3-9/h2-6,13-14H,7H2,1H3
InChIKeyVPILSIFOMSCETE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.88
Rot. Bonds2

About (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol

(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol (PubChem CID 116828806) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol
PubChem CID116828806
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol
SMILESCc1[nH]c(-c2ccncc2)cc1CO
InChIInChI=1S/C11H12N2O/c1-8-10(7-14)6-11(13-8)9-2-4-12-5-3-9/h2-6,13-14H,7H2,1H3
InChIKeyVPILSIFOMSCETE-UHFFFAOYSA-N
XLogP1.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol?
The IUPAC name of (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol (CID 116828806) is (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol?
The canonical SMILES for (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol is Cc1[nH]c(-c2ccncc2)cc1CO.
What is the InChIKey of (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol?
The InChIKey is VPILSIFOMSCETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-10(7-14)6-11(13-8)9-2-4-12-5-3-9/h2-6,13-14H,7H2,1H3.
What are the key properties of (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol?
(2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol has a molecular weight of 188.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-pyridin-4-yl-1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 116828806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).