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

C8H5BrF2N2O — CID 130108971

IUPAC5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CO)c(Br)c1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-7-5(3-14)13-2-4(1-12)6(7)8(10)11/h2,8,14H,3H2
InChIKeyJTQRZRAULRBGCF-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.15
Rot. Bonds2

About 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile

5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile (PubChem CID 130108971) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
PubChem CID130108971
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CO)c(Br)c1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-7-5(3-14)13-2-4(1-12)6(7)8(10)11/h2,8,14H,3H2
InChIKeyJTQRZRAULRBGCF-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)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114
ethyl 3-bromo-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134668069
5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130078916
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851075
ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134662400

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile (CID 130108971) is 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile is N#Cc1cnc(CO)c(Br)c1C(F)F.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The InChIKey is JTQRZRAULRBGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c9-7-5(3-14)13-2-4(1-12)6(7)8(10)11/h2,8,14H,3H2.
What are the key properties of 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
5-bromo-4-(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 5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130108971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).