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

C7H3Cl2FN2 — CID 130140290

IUPAC2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile
SMILESN#CC(Cl)c1ccnc(F)c1Cl
InChIInChI=1S/C7H3Cl2FN2/c8-5(3-11)4-1-2-12-7(10)6(4)9/h1-2,5H
InChIKeyPHDSBWHWFGZCJB-UHFFFAOYSA-N
MW205.02 g/mol
LogP2.68
Rot. Bonds1

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

2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile (PubChem CID 130140290) has the molecular formula C7H3Cl2FN2 and a molecular weight of 205.02 g/mol. Its IUPAC name is 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile
PubChem CID130140290
Molecular FormulaC7H3Cl2FN2
Molecular Weight205.02 g/mol
Exact Mass203.97
IUPAC Name2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile
SMILESN#CC(Cl)c1ccnc(F)c1Cl
InChIInChI=1S/C7H3Cl2FN2/c8-5(3-11)4-1-2-12-7(10)6(4)9/h1-2,5H
InChIKeyPHDSBWHWFGZCJB-UHFFFAOYSA-N
XLogP2.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130095787
3-chloro-4-ethynyl-2-fluoropyridine
CID 74891515
3-(2-fluoro-3-formyl-4-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171871356
2-chloro-2-quinolin-8-ylacetonitrile
CID 63968739
2-chloro-2-(2-chloro-3,4-dimethoxyphenyl)acetonitrile
CID 63632067
3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
CID 133091044
3-(2-chloro-3-fluoro-4-pyridinyl)prop-2-enenitrile
CID 169484375
(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056862
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3,5-dichloro-2-fluoropyridine-4-carbonitrile
CID 66926931
2-chloro-3-fluoro-4-propan-2-ylpyridine
CID 59849657
4-chloro-3-fluoropyridine-2-carbonitrile
CID 59529765

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile?
The IUPAC name of 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile (CID 130140290) is 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile is N#CC(Cl)c1ccnc(F)c1Cl.
What is the InChIKey of 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile?
The InChIKey is PHDSBWHWFGZCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FN2/c8-5(3-11)4-1-2-12-7(10)6(4)9/h1-2,5H.
What are the key properties of 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile?
2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile has a molecular weight of 205.02 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-chloro-2-fluoro-4-pyridinyl)acetonitrile is sourced from PubChem (CID 130140290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).