2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine

C9H10BrN5O — CID 163228785

IUPAC2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine
SMILESC[C@@H](Cn1cnnn1)Oc1cccc(Br)n1
InChIInChI=1S/C9H10BrN5O/c1-7(5-15-6-11-13-14-15)16-9-4-2-3-8(10)12-9/h2-4,6-7H,5H2,1H3/t7-/m0/s1
InChIKeyRFGPVYFFASCOOL-ZETCQYMHSA-N
MW284.12 g/mol
LogP1.30
Rot. Bonds4

About 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine

2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine (PubChem CID 163228785) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine.

Molecular Properties

Compound Name2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine
PubChem CID163228785
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine
SMILESC[C@@H](Cn1cnnn1)Oc1cccc(Br)n1
InChIInChI=1S/C9H10BrN5O/c1-7(5-15-6-11-13-14-15)16-9-4-2-3-8(10)12-9/h2-4,6-7H,5H2,1H3/t7-/m0/s1
InChIKeyRFGPVYFFASCOOL-ZETCQYMHSA-N
XLogP1.30
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidine
CID 163228797
4-(difluoromethyl)-2-[5-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]benzonitrile
CID 172727064
2-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-1H-pyrimidin-6-one
CID 163228759
2-(difluoromethyl)-4-fluoro-6-[6-[6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 163228683
6-[5-fluoro-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxy-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 163228825
2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine
CID 130223913
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-(2-methylsulfanylphenyl)pyrimidin-2-amine
CID 146305319
1-ethyltetrazole;sulfane
CID 174767035
(1R)-1-(6-bromo-2-pyridinyl)-2-methylbutan-1-amine
CID 130835904
N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
6-(1-ethoxypropan-2-yloxy)pyridine-2-carboxylic acid
CID 103487111

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine?
The IUPAC name of 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine (CID 163228785) is 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine.
What is the SMILES notation for 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine?
The canonical SMILES for 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine is C[C@@H](Cn1cnnn1)Oc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine?
The InChIKey is RFGPVYFFASCOOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-7(5-15-6-11-13-14-15)16-9-4-2-3-8(10)12-9/h2-4,6-7H,5H2,1H3/t7-/m0/s1.
What are the key properties of 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine?
2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine has a molecular weight of 284.12 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxypyridine is sourced from PubChem (CID 163228785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).