3-bromo-2-(diethoxyphosphorylmethyl)pyridine

C10H15BrNO3P — CID 169218685

IUPAC3-bromo-2-(diethoxyphosphorylmethyl)pyridine
SMILESCCOP(=O)(Cc1ncccc1Br)OCC
InChIInChI=1S/C10H15BrNO3P/c1-3-14-16(13,15-4-2)8-10-9(11)6-5-7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKeyINSFZQSJXSLSSO-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.61
Rot. Bonds6

About 3-bromo-2-(diethoxyphosphorylmethyl)pyridine

3-bromo-2-(diethoxyphosphorylmethyl)pyridine (PubChem CID 169218685) has the molecular formula C10H15BrNO3P and a molecular weight of 308.11 g/mol. Its IUPAC name is 3-bromo-2-(diethoxyphosphorylmethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(diethoxyphosphorylmethyl)pyridine
PubChem CID169218685
Molecular FormulaC10H15BrNO3P
Molecular Weight308.11 g/mol
Exact Mass307.00
IUPAC Name3-bromo-2-(diethoxyphosphorylmethyl)pyridine
SMILESCCOP(=O)(Cc1ncccc1Br)OCC
InChIInChI=1S/C10H15BrNO3P/c1-3-14-16(13,15-4-2)8-10-9(11)6-5-7-12-10/h5-7H,3-4,8H2,1-2H3
InChIKeyINSFZQSJXSLSSO-UHFFFAOYSA-N
XLogP3.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethoxyphosphorylmethyl)pyridine-3-carboxylate
CID 18414949
bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
ethoxy-[[3-(hydroxyamino)-2-pyridinyl]methyl]phosphinic acid
CID 89325868
4-(diethoxyphosphorylmethyl)pyrimidine
CID 166731479
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763
4-(diethoxyphosphorylmethyl)-1,3-benzothiazole
CID 171779196
3-bromo-N-ethoxypyridine-2-carboxamide
CID 107519636
2-(diethoxyphosphorylmethylsulfonyl)pyridine
CID 23421466
[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid
CID 158417465
ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine
CID 71493366

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(diethoxyphosphorylmethyl)pyridine?
The IUPAC name of 3-bromo-2-(diethoxyphosphorylmethyl)pyridine (CID 169218685) is 3-bromo-2-(diethoxyphosphorylmethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(diethoxyphosphorylmethyl)pyridine?
The canonical SMILES for 3-bromo-2-(diethoxyphosphorylmethyl)pyridine is CCOP(=O)(Cc1ncccc1Br)OCC.
What is the InChIKey of 3-bromo-2-(diethoxyphosphorylmethyl)pyridine?
The InChIKey is INSFZQSJXSLSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrNO3P/c1-3-14-16(13,15-4-2)8-10-9(11)6-5-7-12-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 3-bromo-2-(diethoxyphosphorylmethyl)pyridine?
3-bromo-2-(diethoxyphosphorylmethyl)pyridine has a molecular weight of 308.11 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(diethoxyphosphorylmethyl)pyridine is sourced from PubChem (CID 169218685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).