1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol

C14H12BrN5O — CID 110887951

IUPAC1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
SMILESOC(Cn1nnc(-c2cccnc2)n1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrN5O/c15-12-5-1-3-10(7-12)13(21)9-20-18-14(17-19-20)11-4-2-6-16-8-11/h1-8,13,21H,9H2
InChIKeySMPOOHXTPVWJLY-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.23
Rot. Bonds4

About 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol

1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol (PubChem CID 110887951) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
PubChem CID110887951
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
SMILESOC(Cn1nnc(-c2cccnc2)n1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrN5O/c15-12-5-1-3-10(7-12)13(21)9-20-18-14(17-19-20)11-4-2-6-16-8-11/h1-8,13,21H,9H2
InChIKeySMPOOHXTPVWJLY-UHFFFAOYSA-N
XLogP2.23
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-bromophenyl)tetrazol-5-yl]pyridine
CID 73213040
(2R)-1-phenoxy-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94800635
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 60609546
(1S)-1-(3-chlorophenyl)-2-(5-thiophen-3-yltetrazol-2-yl)ethanol
CID 99838626
(2R)-1-[(4-chlorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94822276
(2S)-1-[(2-fluorophenyl)methoxy]-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
CID 94820762
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
CID 16763011
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038
2-[5-(3-bromophenyl)tetrazol-2-yl]acetonitrile
CID 15984034
2-(5-pyridin-3-yltetrazol-2-yl)-1-pyrrolidin-1-ylethanone
CID 860955
1-(4-fluorophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanone
CID 860973

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol (CID 110887951) is 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol is OC(Cn1nnc(-c2cccnc2)n1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The InChIKey is SMPOOHXTPVWJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-12-5-1-3-10(7-12)13(21)9-20-18-14(17-19-20)11-4-2-6-16-8-11/h1-8,13,21H,9H2.
What are the key properties of 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol has a molecular weight of 346.19 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol is sourced from PubChem (CID 110887951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).