(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane

C13H13BFNO — CID 58430017

IUPAC(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane
SMILESCB(C)c1ccc(Oc2cccnc2)cc1F
InChIInChI=1S/C13H13BFNO/c1-14(2)12-6-5-10(8-13(12)15)17-11-4-3-7-16-9-11/h3-9H,1-2H3
InChIKeyQVCZWQCANMHWLW-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.97
Rot. Bonds3

About (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane

(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane (PubChem CID 58430017) has the molecular formula C13H13BFNO and a molecular weight of 229.06 g/mol. Its IUPAC name is (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane.

Molecular Properties

Compound Name(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane
PubChem CID58430017
Molecular FormulaC13H13BFNO
Molecular Weight229.06 g/mol
Exact Mass229.11
IUPAC Name(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane
SMILESCB(C)c1ccc(Oc2cccnc2)cc1F
InChIInChI=1S/C13H13BFNO/c1-14(2)12-6-5-10(8-13(12)15)17-11-4-3-7-16-9-11/h3-9H,1-2H3
InChIKeyQVCZWQCANMHWLW-UHFFFAOYSA-N
XLogP2.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 52.97
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

2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
2-(4-pyridin-3-yloxyphenyl)ethanamine
CID 63815033
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
6-pyridin-3-yloxy-1H-indazole
CID 118649525
1-methyl-6-pyridin-3-yloxyindole
CID 118649526
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
4-pyridin-3-yloxybenzoic acid
CID 22261667
3-(3-methyl-4-nitrophenoxy)pyridine
CID 19042898
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane?
The IUPAC name of (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane (CID 58430017) is (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane.
What is the SMILES notation for (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane?
The canonical SMILES for (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane is CB(C)c1ccc(Oc2cccnc2)cc1F.
What is the InChIKey of (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane?
The InChIKey is QVCZWQCANMHWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BFNO/c1-14(2)12-6-5-10(8-13(12)15)17-11-4-3-7-16-9-11/h3-9H,1-2H3.
What are the key properties of (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane?
(2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane has a molecular weight of 229.06 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridin-3-yloxyphenyl)-dimethylborane is sourced from PubChem (CID 58430017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).