6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol

C13H10BrN5O2 — CID 137215900

IUPAC6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
SMILESOc1c(OCc2ccccc2)cc(Br)nc1-c1nn[nH]n1
InChIInChI=1S/C13H10BrN5O2/c14-10-6-9(21-7-8-4-2-1-3-5-8)12(20)11(15-10)13-16-18-19-17-13/h1-6,20H,7H2,(H,16,17,18,19)
InChIKeyVQUFBHXJWHGFHH-UHFFFAOYSA-N
MW348.16 g/mol
LogP2.31
Rot. Bonds4

About 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol

6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol (PubChem CID 137215900) has the molecular formula C13H10BrN5O2 and a molecular weight of 348.16 g/mol. Its IUPAC name is 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
PubChem CID137215900
Molecular FormulaC13H10BrN5O2
Molecular Weight348.16 g/mol
Exact Mass347.00
IUPAC Name6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
SMILESOc1c(OCc2ccccc2)cc(Br)nc1-c1nn[nH]n1
InChIInChI=1S/C13H10BrN5O2/c14-10-6-9(21-7-8-4-2-1-3-5-8)12(20)11(15-10)13-16-18-19-17-13/h1-6,20H,7H2,(H,16,17,18,19)
InChIKeyVQUFBHXJWHGFHH-UHFFFAOYSA-N
XLogP2.31
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780
5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one
CID 67613505
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
5-[4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]-2H-tetrazole
CID 18973897
1-(4-methylphenyl)-3-[2-phenylmethoxy-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea
CID 86764419
3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol
CID 135870423
2-bromo-6-phenylmethoxyphenol
CID 67346586
methyl 3-azido-6-bromo-2-(2-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 91063507
1-[2-hydroxy-3-propyl-4-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]ethanone
CID 171349044

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol?
The IUPAC name of 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol (CID 137215900) is 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol?
The canonical SMILES for 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol is Oc1c(OCc2ccccc2)cc(Br)nc1-c1nn[nH]n1.
What is the InChIKey of 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol?
The InChIKey is VQUFBHXJWHGFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5O2/c14-10-6-9(21-7-8-4-2-1-3-5-8)12(20)11(15-10)13-16-18-19-17-13/h1-6,20H,7H2,(H,16,17,18,19).
What are the key properties of 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol?
6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol has a molecular weight of 348.16 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 137215900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).