4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile

C8H5BrF2N2O — CID 118811585

IUPAC4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(CO)nc1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-6-1-4(3-14)13-7(8(10)11)5(6)2-12/h1,8,14H,3H2
InChIKeyYNJCHERHXYGXFX-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.15
Rot. Bonds2

About 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile

4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile (PubChem CID 118811585) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
PubChem CID118811585
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)cc(CO)nc1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-6-1-4(3-14)13-7(8(10)11)5(6)2-12/h1,8,14H,3H2
InChIKeyYNJCHERHXYGXFX-UHFFFAOYSA-N
XLogP2.15
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118817239
2-(difluoromethyl)-4-(hydroxymethyl)-6-methylpyridine-3-carbonitrile
CID 130078321
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071417
6-bromo-2-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108627
4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130096001
2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118838596
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile (CID 118811585) is 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile is N#Cc1c(Br)cc(CO)nc1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The InChIKey is YNJCHERHXYGXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c9-6-1-4(3-14)13-7(8(10)11)5(6)2-12/h1,8,14H,3H2.
What are the key properties of 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile has a molecular weight of 263.04 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118811585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).