2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile

C8H5F2IN2O — CID 118852004

IUPAC2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(O)c(C(F)F)c1I
InChIInChI=1S/C8H5F2IN2O/c9-8(10)6-5(14)3-13-4(1-2-12)7(6)11/h3,8,14H,1H2
InChIKeyWTIYLHQYGJAAJD-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.40
Rot. Bonds2

About 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile (PubChem CID 118852004) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
PubChem CID118852004
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(O)c(C(F)F)c1I
InChIInChI=1S/C8H5F2IN2O/c9-8(10)6-5(14)3-13-4(1-2-12)7(6)11/h3,8,14H,1H2
InChIKeyWTIYLHQYGJAAJD-UHFFFAOYSA-N
XLogP2.40
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825
2-[4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 130087449
2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118851080
2-[4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118851957
2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
CID 118823951
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133100295
2-[3-(chloromethyl)-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087437
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile (CID 118852004) is 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile is N#CCc1ncc(O)c(C(F)F)c1I.
What is the InChIKey of 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile?
The InChIKey is WTIYLHQYGJAAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)6-5(14)3-13-4(1-2-12)7(6)11/h3,8,14H,1H2.
What are the key properties of 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile has a molecular weight of 310.04 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118852004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).