4-cyano-5-fluoropyridine-3-carbonyl chloride

C7H2ClFN2O — CID 131125612

IUPAC4-cyano-5-fluoropyridine-3-carbonyl chloride
SMILESN#Cc1c(F)cncc1C(=O)Cl
InChIInChI=1S/C7H2ClFN2O/c8-7(12)5-2-11-3-6(9)4(5)1-10/h2-3H
InChIKeyDERJHKWNCSUQPU-UHFFFAOYSA-N
MW184.56 g/mol
LogP1.47
Rot. Bonds1

About 4-cyano-5-fluoropyridine-3-carbonyl chloride

4-cyano-5-fluoropyridine-3-carbonyl chloride (PubChem CID 131125612) has the molecular formula C7H2ClFN2O and a molecular weight of 184.56 g/mol. Its IUPAC name is 4-cyano-5-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-cyano-5-fluoropyridine-3-carbonyl chloride
PubChem CID131125612
Molecular FormulaC7H2ClFN2O
Molecular Weight184.56 g/mol
Exact Mass183.98
IUPAC Name4-cyano-5-fluoropyridine-3-carbonyl chloride
SMILESN#Cc1c(F)cncc1C(=O)Cl
InChIInChI=1S/C7H2ClFN2O/c8-7(12)5-2-11-3-6(9)4(5)1-10/h2-3H
InChIKeyDERJHKWNCSUQPU-UHFFFAOYSA-N
XLogP1.47
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.56
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-4-fluoropyridine-2-carbonyl chloride
CID 131009343
4-chloro-5-(cyanomethyl)pyridine-3-carbonyl chloride
CID 87727762
3-cyano-2-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 171017082
5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134685688
4-chloro-2-cyanopyrimidine-5-carbonyl chloride
CID 86223870
4-chloro-5-fluoropyridine-3-carboxamide
CID 99981298
(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid
CID 170165248
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
3-cyano-2,4-dimethylbenzoyl chloride
CID 171015367
2-cyano-3,4-dimethylbenzoyl chloride
CID 171015286
2-(2-chloroacetyl)-6-fluoro-4-hydroxybenzonitrile
CID 171020679
3-cyano-4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 171028208

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 4-cyano-5-fluoropyridine-3-carbonyl chloride (CID 131125612) is 4-cyano-5-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 4-cyano-5-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 4-cyano-5-fluoropyridine-3-carbonyl chloride is N#Cc1c(F)cncc1C(=O)Cl.
What is the InChIKey of 4-cyano-5-fluoropyridine-3-carbonyl chloride?
The InChIKey is DERJHKWNCSUQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClFN2O/c8-7(12)5-2-11-3-6(9)4(5)1-10/h2-3H.
What are the key properties of 4-cyano-5-fluoropyridine-3-carbonyl chloride?
4-cyano-5-fluoropyridine-3-carbonyl chloride has a molecular weight of 184.56 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 131125612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).