2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile

C13H7Cl2FN2 — CID 133094570

IUPAC2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2cc(Cl)ccc2Cl)ccc1F
InChIInChI=1S/C13H7Cl2FN2/c14-8-1-2-10(15)9(7-8)12-4-3-11(16)13(18-12)5-6-17/h1-4,7H,5H2
InChIKeyQVLCVEMCZYRHGP-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.26
Rot. Bonds2

About 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile

2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile (PubChem CID 133094570) has the molecular formula C13H7Cl2FN2 and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
PubChem CID133094570
Molecular FormulaC13H7Cl2FN2
Molecular Weight281.12 g/mol
Exact Mass280.00
IUPAC Name2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(-c2cc(Cl)ccc2Cl)ccc1F
InChIInChI=1S/C13H7Cl2FN2/c14-8-1-2-10(15)9(7-8)12-4-3-11(16)13(18-12)5-6-17/h1-4,7H,5H2
InChIKeyQVLCVEMCZYRHGP-UHFFFAOYSA-N
XLogP4.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 133094533
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
2-[3,6-bis(2-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131870387
6-(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133096229
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]methanol
CID 82452812
2-(2,5-dichlorophenyl)-5-fluoropyridine
CID 118836279
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094450

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile (CID 133094570) is 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile is N#CCc1nc(-c2cc(Cl)ccc2Cl)ccc1F.
What is the InChIKey of 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is QVLCVEMCZYRHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2/c14-8-1-2-10(15)9(7-8)12-4-3-11(16)13(18-12)5-6-17/h1-4,7H,5H2.
What are the key properties of 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile?
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile has a molecular weight of 281.12 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).