6-amino-2-chloro-5-fluoropyridine-3-carbonitrile

C6H3ClFN3 — CID 88543284

IUPAC6-amino-2-chloro-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(N)nc1Cl
InChIInChI=1S/C6H3ClFN3/c7-5-3(2-9)1-4(8)6(10)11-5/h1H,(H2,10,11)
InChIKeyAIJNOCYLVBYQPU-UHFFFAOYSA-N
MW171.56 g/mol
LogP1.33
Rot. Bonds

About 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile

6-amino-2-chloro-5-fluoropyridine-3-carbonitrile (PubChem CID 88543284) has the molecular formula C6H3ClFN3 and a molecular weight of 171.56 g/mol. Its IUPAC name is 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-chloro-5-fluoropyridine-3-carbonitrile
PubChem CID88543284
Molecular FormulaC6H3ClFN3
Molecular Weight171.56 g/mol
Exact Mass171.00
IUPAC Name6-amino-2-chloro-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(N)nc1Cl
InChIInChI=1S/C6H3ClFN3/c7-5-3(2-9)1-4(8)6(10)11-5/h1H,(H2,10,11)
InChIKeyAIJNOCYLVBYQPU-UHFFFAOYSA-N
XLogP1.33
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.56
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-chloropyridine-3,5-dicarbonitrile
CID 295901
2-Amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile
CID 606000
2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
CID 2733849
2-Chloro-6-(dimethylamino)pyridine-3,5-dicarbonitrile
CID 49864066
2,6-Dichloropyridine-3,5-dicarbonitrile
CID 850221
2-Amino-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
CID 2786713
6-Chloro-5-methylpyridin-2-amine
CID 45079594
6-Chloro-5-(trifluoromethyl)pyridin-2-amine
CID 13064153
6-Amino-2-chloronicotinonitrile
CID 22482841
6-Amino-5-chloronicotinonitrile
CID 1482881
6-Chloro-4-(trifluoromethyl)pyridin-2-amine
CID 13986817
2-Amino-6-chloropyridine-4-carbonitrile
CID 20311683

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile (CID 88543284) is 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile is N#Cc1cc(F)c(N)nc1Cl.
What is the InChIKey of 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile?
The InChIKey is AIJNOCYLVBYQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN3/c7-5-3(2-9)1-4(8)6(10)11-5/h1H,(H2,10,11).
What are the key properties of 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile?
6-amino-2-chloro-5-fluoropyridine-3-carbonitrile has a molecular weight of 171.56 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 88543284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).