4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile

C10H5F2N3 — CID 166402810

IUPAC4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2cnc(F)c(F)c2)c[nH]1
InChIInChI=1S/C10H5F2N3/c11-9-2-7(5-15-10(9)12)6-1-8(3-13)14-4-6/h1-2,4-5,14H
InChIKeyFKZDKTSZDDNEGW-UHFFFAOYSA-N
MW205.17 g/mol
LogP2.23
Rot. Bonds1

About 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile

4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile (PubChem CID 166402810) has the molecular formula C10H5F2N3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile
PubChem CID166402810
Molecular FormulaC10H5F2N3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile
SMILESN#Cc1cc(-c2cnc(F)c(F)c2)c[nH]1
InChIInChI=1S/C10H5F2N3/c11-9-2-7(5-15-10(9)12)6-1-8(3-13)14-4-6/h1-2,4-5,14H
InChIKeyFKZDKTSZDDNEGW-UHFFFAOYSA-N
XLogP2.23
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluorophenyl)-1H-pyrrole-2-carbonitrile
CID 117001390
4-pyridin-4-yl-1H-pyrrole-2-carbonitrile
CID 23390220
5-(3,5-dichlorophenyl)-2,3-difluoropyridine
CID 133090630
2-fluoro-3-azabicyclo[3.1.0]hexa-1,3,5-triene
CID 175200961
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700997
5,6-difluoropyrazine-2-carbonitrile
CID 175065901
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-1H-pyrrole-2-carbonitrile
CID 130641793
3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
CID 90167151
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136782420
3-(5,6-difluoro-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869978

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile (CID 166402810) is 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile is N#Cc1cc(-c2cnc(F)c(F)c2)c[nH]1.
What is the InChIKey of 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile?
The InChIKey is FKZDKTSZDDNEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N3/c11-9-2-7(5-15-10(9)12)6-1-8(3-13)14-4-6/h1-2,4-5,14H.
What are the key properties of 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile?
4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile has a molecular weight of 205.17 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-difluoro-3-pyridinyl)-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 166402810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).