2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine

C17H16N2O2 — CID 139200814

IUPAC2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine
SMILESCc1c(O)cccc1O.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C7H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-6(8)3-2-4-7(5)9/h1-8H;2-4,8-9H,1H3
InChIKeyBNTFVMIAZZTIRM-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.55
Rot. Bonds1

About 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine

2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine (PubChem CID 139200814) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine
PubChem CID139200814
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine
SMILESCc1c(O)cccc1O.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C7H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-6(8)3-2-4-7(5)9/h1-8H;2-4,8-9H,1H3
InChIKeyBNTFVMIAZZTIRM-UHFFFAOYSA-N
XLogP3.55
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[2-(2-Pyridinyl)ethyl]phenol
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US9682910, 4-(Pyridin-ylmethyl)benzene-1,3-diol (7)
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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine?
The IUPAC name of 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine (CID 139200814) is 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine.
What is the SMILES notation for 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine?
The canonical SMILES for 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine is Cc1c(O)cccc1O.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine?
The InChIKey is BNTFVMIAZZTIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C7H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-6(8)3-2-4-7(5)9/h1-8H;2-4,8-9H,1H3.
What are the key properties of 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine?
2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine has a molecular weight of 280.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzene-1,3-diol;2-pyridin-2-ylpyridine is sourced from PubChem (CID 139200814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).