5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile

C12H5Cl2FN2 — CID 133095931

IUPAC5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C12H5Cl2FN2/c13-9-2-1-7(3-10(9)14)8-4-11(15)12(5-16)17-6-8/h1-4,6H
InChIKeyPWKFEDCZXXEYPK-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.07
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile

5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile (PubChem CID 133095931) has the molecular formula C12H5Cl2FN2 and a molecular weight of 267.09 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
PubChem CID133095931
Molecular FormulaC12H5Cl2FN2
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C12H5Cl2FN2/c13-9-2-1-7(3-10(9)14)8-4-11(15)12(5-16)17-6-8/h1-4,6H
InChIKeyPWKFEDCZXXEYPK-UHFFFAOYSA-N
XLogP4.07
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
CID 90167151
3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile
CID 146636310
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133095168
3-(3,4-dichlorophenyl)-5-fluorobenzonitrile
CID 134623269
3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
CID 133095092
ethane;3-fluoro-5-methylpyridine-2-carbonitrile
CID 143407893
3-chloro-5-(4-chlorophenyl)-2-ethynylpyridine
CID 86077065
3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile
CID 122540372
1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 134623230
[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
CID 119006015
1,2-dichloro-4-(3,5-difluorophenyl)benzene
CID 134623188

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile (CID 133095931) is 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile is N#Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile?
The InChIKey is PWKFEDCZXXEYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2/c13-9-2-1-7(3-10(9)14)8-4-11(15)12(5-16)17-6-8/h1-4,6H.
What are the key properties of 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile?
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile has a molecular weight of 267.09 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 133095931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).