CID 167457138

C7H4BF2NO2 — CID 167457138

IUPAC—
SMILES[B]c1ccc(C=O)nc1OC(F)F
InChIInChI=1S/C7H4BF2NO2/c8-5-2-1-4(3-12)11-6(5)13-7(9)10/h1-3,7H
InChIKeyGRPCKAJRHAJVNP-UHFFFAOYSA-N
MW182.92 g/mol
LogP0.29
Rot. Bonds3

About CID 167457138

CID 167457138 (PubChem CID 167457138) has the molecular formula C7H4BF2NO2 and a molecular weight of 182.92 g/mol.

Molecular Properties

Compound NameCID 167457138
PubChem CID167457138
Molecular FormulaC7H4BF2NO2
Molecular Weight182.92 g/mol
Exact Mass183.03
IUPAC Name—
SMILES[B]c1ccc(C=O)nc1OC(F)F
InChIInChI=1S/C7H4BF2NO2/c8-5-2-1-4(3-12)11-6(5)13-7(9)10/h1-3,7H
InChIKeyGRPCKAJRHAJVNP-UHFFFAOYSA-N
XLogP0.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.92
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(difluoromethoxy)pyridine-2-carbaldehyde
CID 167456756
4-chloro-2-(difluoromethoxy)pyridine-3-carbaldehyde
CID 118839602
2-(difluoromethoxy)-6-methylpyridin-3-amine;hydrochloride
CID 153372099
2-(difluoromethoxy)-3-fluoro-6-iodopyridine
CID 119020596
2-(difluoromethyl)pyrimidine-4-carbaldehyde
CID 105430870
4-(difluoromethoxy)benzaldehyde
CID 2736986
4-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130970189
2-(difluoromethoxy)-6-fluoro-3-iodopyridine
CID 119004423
6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493
6-[(1S)-1-amino-2-methylpropyl]-5-phenylmethoxypyridine-2-carbaldehyde
CID 87406660
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
2-(difluoromethoxy)pyridine-4-carbaldehyde
CID 71302320

Frequently Asked Questions

What is the IUPAC name of CID 167457138?
The IUPAC name of CID 167457138 (CID 167457138) is not available.
What is the SMILES notation for CID 167457138?
The canonical SMILES for CID 167457138 is [B]c1ccc(C=O)nc1OC(F)F.
What is the InChIKey of CID 167457138?
The InChIKey is GRPCKAJRHAJVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BF2NO2/c8-5-2-1-4(3-12)11-6(5)13-7(9)10/h1-3,7H.
What are the key properties of CID 167457138?
CID 167457138 has a molecular weight of 182.92 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167457138 is sourced from PubChem (CID 167457138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).