2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol

C14H13N5O — CID 173252357

IUPAC2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
SMILESOC(Cc1cccnc1)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O/c20-13(8-10-4-3-7-15-9-10)11-5-1-2-6-12(11)14-16-18-19-17-14/h1-7,9,13,20H,8H2,(H,16,17,18,19)
InChIKeyCUNNXSAIWJXLJN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.54
Rot. Bonds4

About 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol

2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol (PubChem CID 173252357) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
PubChem CID173252357
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
SMILESOC(Cc1cccnc1)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C14H13N5O/c20-13(8-10-4-3-7-15-9-10)11-5-1-2-6-12(11)14-16-18-19-17-14/h1-7,9,13,20H,8H2,(H,16,17,18,19)
InChIKeyCUNNXSAIWJXLJN-UHFFFAOYSA-N
XLogP1.54
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-pyridin-3-yl-1-quinolin-4-ylethanol
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1-naphthalen-2-yl-2-pyridin-3-ylethanol
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1-(4-phenylphenyl)-2-pyridin-3-ylethanol
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CID 104735737
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-pyridin-3-ylethanol
CID 106972010

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
The IUPAC name of 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol (CID 173252357) is 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol.
What is the SMILES notation for 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
The canonical SMILES for 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol is OC(Cc1cccnc1)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
The InChIKey is CUNNXSAIWJXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-13(8-10-4-3-7-15-9-10)11-5-1-2-6-12(11)14-16-18-19-17-14/h1-7,9,13,20H,8H2,(H,16,17,18,19).
What are the key properties of 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol?
2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol has a molecular weight of 267.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol is sourced from PubChem (CID 173252357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).