6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile

C7H3ClF3N3O — CID 131492432

IUPAC6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(N)nc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H3ClF3N3O/c8-6-5(15-7(9,10)11)3(2-12)1-4(13)14-6/h1H,(H2,13,14)
InChIKeyRVAGQJVPBOHRPS-UHFFFAOYSA-N
MW237.57 g/mol
LogP2.09
Rot. Bonds1

About 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile

6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 131492432) has the molecular formula C7H3ClF3N3O and a molecular weight of 237.57 g/mol. Its IUPAC name is 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID131492432
Molecular FormulaC7H3ClF3N3O
Molecular Weight237.57 g/mol
Exact Mass236.99
IUPAC Name6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(N)nc(Cl)c1OC(F)(F)F
InChIInChI=1S/C7H3ClF3N3O/c8-6-5(15-7(9,10)11)3(2-12)1-4(13)14-6/h1H,(H2,13,14)
InChIKeyRVAGQJVPBOHRPS-UHFFFAOYSA-N
XLogP2.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.57
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 131492432) is 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1cc(N)nc(Cl)c1OC(F)(F)F.
What is the InChIKey of 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is RVAGQJVPBOHRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3O/c8-6-5(15-7(9,10)11)3(2-12)1-4(13)14-6/h1H,(H2,13,14).
What are the key properties of 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile?
6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 237.57 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 131492432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).