(2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol

C17H17NO2 — CID 16729494

IUPAC(2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol
SMILESCC1(C)C=Cc2cc(C(O)c3cccnc3)ccc2O1
InChIInChI=1S/C17H17NO2/c1-17(2)8-7-12-10-13(5-6-15(12)20-17)16(19)14-4-3-9-18-11-14/h3-11,16,19H,1-2H3
InChIKeyNREKAAWAZQZSQG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds2

About (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol

(2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol (PubChem CID 16729494) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol
PubChem CID16729494
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol
SMILESCC1(C)C=Cc2cc(C(O)c3cccnc3)ccc2O1
InChIInChI=1S/C17H17NO2/c1-17(2)8-7-12-10-13(5-6-15(12)20-17)16(19)14-4-3-9-18-11-14/h3-11,16,19H,1-2H3
InChIKeyNREKAAWAZQZSQG-UHFFFAOYSA-N
XLogP3.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol?
The IUPAC name of (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol (CID 16729494) is (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol is CC1(C)C=Cc2cc(C(O)c3cccnc3)ccc2O1.
What is the InChIKey of (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol?
The InChIKey is NREKAAWAZQZSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-17(2)8-7-12-10-13(5-6-15(12)20-17)16(19)14-4-3-9-18-11-14/h3-11,16,19H,1-2H3.
What are the key properties of (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol?
(2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol has a molecular weight of 267.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylchromen-6-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 16729494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).