bromomethane;pyridin-3-ylmethanol

C7H10BrNO — CID 158702197

IUPACbromomethane;pyridin-3-ylmethanol
SMILESCBr.OCc1cccnc1
InChIInChI=1S/C6H7NO.CH3Br/c8-5-6-2-1-3-7-4-6;1-2/h1-4,8H,5H2;1H3
InChIKeyIHRHVHFPYVPDCM-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.59
Rot. Bonds1

About bromomethane;pyridin-3-ylmethanol

bromomethane;pyridin-3-ylmethanol (PubChem CID 158702197) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is bromomethane;pyridin-3-ylmethanol.

Molecular Properties

Compound Namebromomethane;pyridin-3-ylmethanol
PubChem CID158702197
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Namebromomethane;pyridin-3-ylmethanol
SMILESCBr.OCc1cccnc1
InChIInChI=1S/C6H7NO.CH3Br/c8-5-6-2-1-3-7-4-6;1-2/h1-4,8H,5H2;1H3
InChIKeyIHRHVHFPYVPDCM-UHFFFAOYSA-N
XLogP1.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
[4-(2-pyridin-3-ylethyl)phenyl]methanol
CID 57319891
3-ethylpyridine
CID 10823
argon;2-pyridin-3-ylethanol
CID 159015973
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
2-bromo-3-pyridin-3-ylpropan-1-ol
CID 70078004
[1-(pyridin-3-ylmethyl)pyrrol-3-yl]methanol
CID 66398061
bis(pyridin-3-ylmethyl)azanium
CID 6946562
8-pyridin-3-yloctan-1-ol
CID 11830623
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
ethane;ethylbenzene;3-ethylpyridine
CID 145171299

Frequently Asked Questions

What is the IUPAC name of bromomethane;pyridin-3-ylmethanol?
The IUPAC name of bromomethane;pyridin-3-ylmethanol (CID 158702197) is bromomethane;pyridin-3-ylmethanol.
What is the SMILES notation for bromomethane;pyridin-3-ylmethanol?
The canonical SMILES for bromomethane;pyridin-3-ylmethanol is CBr.OCc1cccnc1.
What is the InChIKey of bromomethane;pyridin-3-ylmethanol?
The InChIKey is IHRHVHFPYVPDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.CH3Br/c8-5-6-2-1-3-7-4-6;1-2/h1-4,8H,5H2;1H3.
What are the key properties of bromomethane;pyridin-3-ylmethanol?
bromomethane;pyridin-3-ylmethanol has a molecular weight of 204.07 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;pyridin-3-ylmethanol is sourced from PubChem (CID 158702197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).