3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine

C10H10BrNO — CID 178173432

IUPAC3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine
SMILESC#Cc1cnc([C@H](C)OC)c(Br)c1
InChIInChI=1S/C10H10BrNO/c1-4-8-5-9(11)10(12-6-8)7(2)13-3/h1,5-7H,2-3H3/t7-/m0/s1
InChIKeyBBMFMIZVIPEYMN-ZETCQYMHSA-N
MW240.10 g/mol
LogP2.53
Rot. Bonds2

About 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine

3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine (PubChem CID 178173432) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine
PubChem CID178173432
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine
SMILESC#Cc1cnc([C@H](C)OC)c(Br)c1
InChIInChI=1S/C10H10BrNO/c1-4-8-5-9(11)10(12-6-8)7(2)13-3/h1,5-7H,2-3H3/t7-/m0/s1
InChIKeyBBMFMIZVIPEYMN-ZETCQYMHSA-N
XLogP2.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-ynyl]-2-[(1S)-1-methoxyethyl]pyridine
CID 178173443
1-[5-bromo-6-(1-methoxyethyl)-3-pyridinyl]-4-methylpiperazine
CID 171329350
(1R)-1-(5-ethynyl-3-fluoro-2-pyridinyl)ethanamine
CID 74787967
3-bromo-2-[(1S)-1-methoxyethyl]-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
CID 176804453
(9aR)-2-[5-bromo-6-[(1S)-1-methoxyethyl]-3-pyridinyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 162763067
3-chloro-5-ethynyl-2-methoxypyridine
CID 74890928
CID 162763152
CID 162763152
5-ethynyl-3-methoxypyridin-2-amine
CID 74890841
2-chloro-5-ethynylpyridin-3-ol
CID 74892636
methyl 5-ethynyl-2-methylpyridine-3-carboxylate
CID 129138244
2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
CID 175646944
5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 175646954

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine?
The IUPAC name of 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine (CID 178173432) is 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine.
What is the SMILES notation for 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine?
The canonical SMILES for 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine is C#Cc1cnc([C@H](C)OC)c(Br)c1.
What is the InChIKey of 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine?
The InChIKey is BBMFMIZVIPEYMN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-4-8-5-9(11)10(12-6-8)7(2)13-3/h1,5-7H,2-3H3/t7-/m0/s1.
What are the key properties of 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine?
3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine has a molecular weight of 240.10 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethynyl-2-[(1S)-1-methoxyethyl]pyridine is sourced from PubChem (CID 178173432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).