4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile

C13H8BrFN2O — CID 65203604

IUPAC4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(Br)c(F)c2)ccn1
InChIInChI=1S/C13H8BrFN2O/c14-12-2-1-11(6-13(12)15)18-8-9-3-4-17-10(5-9)7-16/h1-6H,8H2
InChIKeyYVUZVNQJSYJXCO-UHFFFAOYSA-N
MW307.12 g/mol
LogP3.43
Rot. Bonds3

About 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile

4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 65203604) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID65203604
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccc(Br)c(F)c2)ccn1
InChIInChI=1S/C13H8BrFN2O/c14-12-2-1-11(6-13(12)15)18-8-9-3-4-17-10(5-9)7-16/h1-6H,8H2
InChIKeyYVUZVNQJSYJXCO-UHFFFAOYSA-N
XLogP3.43
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63884627
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]pyridine-2-carbonitrile
CID 107741577
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
1-bromo-4-[(3,4-dimethylphenyl)methoxy]-2-fluorobenzene
CID 65202941
4-(1H-indol-5-yloxymethyl)pyridine-2-carbonitrile
CID 80643657
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile (CID 65203604) is 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccc(Br)c(F)c2)ccn1.
What is the InChIKey of 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is YVUZVNQJSYJXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c14-12-2-1-11(6-13(12)15)18-8-9-3-4-17-10(5-9)7-16/h1-6H,8H2.
What are the key properties of 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile?
4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 307.12 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-fluorophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 65203604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).