2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile

C7H4ClFN2 — CID 119024596

IUPAC2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cnc(Cl)cc1F
InChIInChI=1S/C7H4ClFN2/c8-7-3-6(9)5(1-2-10)4-11-7/h3-4H,1H2
InChIKeyQNFDHTZEDSLKGL-UHFFFAOYSA-N
MW170.57 g/mol
LogP1.94
Rot. Bonds1

About 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile

2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile (PubChem CID 119024596) has the molecular formula C7H4ClFN2 and a molecular weight of 170.57 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile
PubChem CID119024596
Molecular FormulaC7H4ClFN2
Molecular Weight170.57 g/mol
Exact Mass170.00
IUPAC Name2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cnc(Cl)cc1F
InChIInChI=1S/C7H4ClFN2/c8-7-3-6(9)5(1-2-10)4-11-7/h3-4H,1H2
InChIKeyQNFDHTZEDSLKGL-UHFFFAOYSA-N
XLogP1.94
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichloro-4-pyridinyl)acetonitrile
CID 84770229
2-(4-chloro-6-fluoro-3-pyridinyl)acetonitrile
CID 130895640
2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid
CID 119016121
2-(2,4-dichloro-5-fluorophenyl)acetonitrile
CID 2774021
2-(3-chloro-2,4,5-trifluorophenyl)acetonitrile
CID 115111003
2-(2,5-dichloro-4-fluorophenyl)acetonitrile
CID 84777673
2-(5-chloro-4-fluoro-2-pyridinyl)acetonitrile
CID 130980972
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-(2-chloro-5-fluoro-4-iodophenyl)acetonitrile
CID 171005051
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile (CID 119024596) is 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile is N#CCc1cnc(Cl)cc1F.
What is the InChIKey of 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile?
The InChIKey is QNFDHTZEDSLKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN2/c8-7-3-6(9)5(1-2-10)4-11-7/h3-4H,1H2.
What are the key properties of 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile?
2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile has a molecular weight of 170.57 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-fluoro-3-pyridinyl)acetonitrile is sourced from PubChem (CID 119024596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).