2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile

C14H8ClFN4O — CID 164844386

IUPAC2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(Nc2cccc3c2CNC3=O)nc1Cl
InChIInChI=1S/C14H8ClFN4O/c15-12-7(5-17)4-10(16)13(20-12)19-11-3-1-2-8-9(11)6-18-14(8)21/h1-4H,6H2,(H,18,21)(H,19,20)
InChIKeyWBOSVMUBPTXNPA-UHFFFAOYSA-N
MW302.70 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile

2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile (PubChem CID 164844386) has the molecular formula C14H8ClFN4O and a molecular weight of 302.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile
PubChem CID164844386
Molecular FormulaC14H8ClFN4O
Molecular Weight302.70 g/mol
Exact Mass302.04
IUPAC Name2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(Nc2cccc3c2CNC3=O)nc1Cl
InChIInChI=1S/C14H8ClFN4O/c15-12-7(5-17)4-10(16)13(20-12)19-11-3-1-2-8-9(11)6-18-14(8)21/h1-4H,6H2,(H,18,21)(H,19,20)
InChIKeyWBOSVMUBPTXNPA-UHFFFAOYSA-N
XLogP2.73
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.70
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-6-(2-fluoro-5-methylanilino)pyridine-3-carbonitrile
CID 167654468
2-chloro-6-[(1,1-dimethyl-2,3-dihydroinden-4-yl)amino]-5-fluoropyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile;1,1-dimethyl-2,3-dihydroinden-4-amine
CID 167688048
4-(1-oxo-2,3-dihydroisoindol-4-yl)benzene-1,2-dicarbonitrile
CID 176572037
2-chloro-6-(2,3-dimethylanilino)-5-fluoropyridine-3-carbonitrile;6-N-(2,3-dimethylphenyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine-3,6-diamine;hydrazine;hydrate
CID 167542184
2-chloro-5-fluoro-6-[(1-methylindol-4-yl)amino]pyridine-3-carbonitrile;5-fluoro-6-N-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyridine-3,6-diamine;hydrazine;hydrate
CID 167585061
2-chloro-6-(cyclopropylmethylamino)-5-fluoropyridine-3-carbonitrile
CID 164663167
3-tert-butylaniline;6-(3-tert-butylanilino)-2-chloro-5-fluoropyridine-3-carbonitrile;2,6-dichloro-5-fluoropyridine-3-carbonitrile
CID 167697189
4-(2-fluoro-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996445
4-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 82597832
4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
CID 172769018
4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064723
3-[6-(2,4-difluorophenyl)-1-oxo-2,3-dihydroisoindol-5-yl]-2-fluorobenzonitrile
CID 171097900

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile (CID 164844386) is 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile is N#Cc1cc(F)c(Nc2cccc3c2CNC3=O)nc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile?
The InChIKey is WBOSVMUBPTXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4O/c15-12-7(5-17)4-10(16)13(20-12)19-11-3-1-2-8-9(11)6-18-14(8)21/h1-4H,6H2,(H,18,21)(H,19,20).
What are the key properties of 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile?
2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile has a molecular weight of 302.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 164844386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).