2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile

C9H7BrF2N2O — CID 118843738

IUPAC2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(O)c(C(F)F)nc1CBr
InChIInChI=1S/C9H7BrF2N2O/c10-4-6-5(1-2-13)3-7(15)8(14-6)9(11)12/h3,9,15H,1,4H2
InChIKeyAFNICQDXNHKDFT-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.69
Rot. Bonds3

About 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile

2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile (PubChem CID 118843738) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
PubChem CID118843738
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(O)c(C(F)F)nc1CBr
InChIInChI=1S/C9H7BrF2N2O/c10-4-6-5(1-2-13)3-7(15)8(14-6)9(11)12/h3,9,15H,1,4H2
InChIKeyAFNICQDXNHKDFT-UHFFFAOYSA-N
XLogP2.69
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118815881
2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324
2-[2-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075151
2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118804402
2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118842791
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239
2-[6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070222
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-ol
CID 118832807
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 118814844
2-[5-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107479

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile (CID 118843738) is 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile is N#CCc1cc(O)c(C(F)F)nc1CBr.
What is the InChIKey of 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
The InChIKey is AFNICQDXNHKDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c10-4-6-5(1-2-13)3-7(15)8(14-6)9(11)12/h3,9,15H,1,4H2.
What are the key properties of 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile?
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile has a molecular weight of 277.07 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118843738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).