5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile

C9H7BrF2N2O — CID 130078916

IUPAC5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(CO)ncc(CBr)c1C(F)F
InChIInChI=1S/C9H7BrF2N2O/c10-1-5-3-14-7(4-15)6(2-13)8(5)9(11)12/h3,9,15H,1,4H2
InChIKeyDLCXQLWAJQIGOJ-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.28
Rot. Bonds3

About 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile

5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile (PubChem CID 130078916) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
PubChem CID130078916
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(CO)ncc(CBr)c1C(F)F
InChIInChI=1S/C9H7BrF2N2O/c10-1-5-3-14-7(4-15)6(2-13)8(5)9(11)12/h3,9,15H,1,4H2
InChIKeyDLCXQLWAJQIGOJ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071152
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071413
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile (CID 130078916) is 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile is N#Cc1c(CO)ncc(CBr)c1C(F)F.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
The InChIKey is DLCXQLWAJQIGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c10-1-5-3-14-7(4-15)6(2-13)8(5)9(11)12/h3,9,15H,1,4H2.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile has a molecular weight of 277.07 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130078916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).