CID 156637703

C6H5BFNO — CID 156637703

IUPAC—
SMILES[B]c1cc(OC)c(F)cn1
InChIInChI=1S/C6H5BFNO/c1-10-5-2-6(7)9-3-4(5)8/h2-3H,1H3
InChIKeyJGAXIMSEOGZYMA-UHFFFAOYSA-N
MW136.92 g/mol
LogP0.02
Rot. Bonds1

About CID 156637703

CID 156637703 (PubChem CID 156637703) has the molecular formula C6H5BFNO and a molecular weight of 136.92 g/mol.

Molecular Properties

Compound NameCID 156637703
PubChem CID156637703
Molecular FormulaC6H5BFNO
Molecular Weight136.92 g/mol
Exact Mass137.04
IUPAC Name—
SMILES[B]c1cc(OC)c(F)cn1
InChIInChI=1S/C6H5BFNO/c1-10-5-2-6(7)9-3-4(5)8/h2-3H,1H3
InChIKeyJGAXIMSEOGZYMA-UHFFFAOYSA-N
XLogP0.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.92
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-methoxy-2-phenylpyridine
CID 133096136
5-fluoro-4-methoxy-2-piperidin-4-ylpyridine
CID 84677771
2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile
CID 162135298
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride
CID 146457373
CID 87823096
CID 87823096
2-fluoro-5-methoxy-4-methylpyridine
CID 74891147
ethane;2-fluoro-4-methoxy-5-methylpyridine
CID 170582944
5-fluoro-6-methoxy-2-methyl-1-benzothiophene
CID 131091519
6-fluoro-5-methoxy-2-methyl-1-benzothiophene
CID 90429351
7-fluoro-4,6-dimethoxyisoquinoline
CID 70978703
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532

Frequently Asked Questions

What is the IUPAC name of CID 156637703?
The IUPAC name of CID 156637703 (CID 156637703) is not available.
What is the SMILES notation for CID 156637703?
The canonical SMILES for CID 156637703 is [B]c1cc(OC)c(F)cn1.
What is the InChIKey of CID 156637703?
The InChIKey is JGAXIMSEOGZYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BFNO/c1-10-5-2-6(7)9-3-4(5)8/h2-3H,1H3.
What are the key properties of CID 156637703?
CID 156637703 has a molecular weight of 136.92 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156637703 is sourced from PubChem (CID 156637703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).