3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile

C7H4BrF2N3O — CID 171829481

IUPAC3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(OC(F)F)cc1N
InChIInChI=1S/C7H4BrF2N3O/c8-6-5(14-7(9)10)1-3(12)4(2-11)13-6/h1,7H,12H2
InChIKeyPCVUCODBFPDNMY-UHFFFAOYSA-N
MW264.03 g/mol
LogP1.90
Rot. Bonds2

About 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile

3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile (PubChem CID 171829481) has the molecular formula C7H4BrF2N3O and a molecular weight of 264.03 g/mol. Its IUPAC name is 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile
PubChem CID171829481
Molecular FormulaC7H4BrF2N3O
Molecular Weight264.03 g/mol
Exact Mass262.95
IUPAC Name3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(Br)c(OC(F)F)cc1N
InChIInChI=1S/C7H4BrF2N3O/c8-6-5(14-7(9)10)1-3(12)4(2-11)13-6/h1,7H,12H2
InChIKeyPCVUCODBFPDNMY-UHFFFAOYSA-N
XLogP1.90
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.03
LogP ≤ 51.90
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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Related Compounds

6-Bromo-5-methoxy-2-pyridinecarbonitrile
CID 57484709
6-Bromo-3-methoxy-2-(trifluoromethyl)pyridine
CID 71757518
2,6-dibromo-5-methoxy-N-methylpyridin-3-amine
CID 165950789
2-Bromo-3-methoxy-6-(trifluoromethyl)pyridine
CID 22000193
2-Bromo-6-(difluoromethoxy)pyridin-3-amine
CID 86652216
2-Bromo-3-difluoromethoxy-6-methylpyridine
CID 118995492
2-Bromo-6-methyl-3-(trifluoromethoxy)pyridine
CID 118997439
5-Bromo-6-methoxy-2-(trifluoromethoxy)pyridin-3-amine
CID 121269848
6-Bromo-2-methyl-3-(trifluoromethoxy)pyridine
CID 130047357
6-Bromo-3-(difluoromethoxy)-2-methylpyridine
CID 130047360
6-Bromo-3-(trifluoromethoxy)picolinonitrile
CID 130089316
6-Bromo-2-(difluoromethyl)-3-methoxypyridine
CID 130095054

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile (CID 171829481) is 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(Br)c(OC(F)F)cc1N.
What is the InChIKey of 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is PCVUCODBFPDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N3O/c8-6-5(14-7(9)10)1-3(12)4(2-11)13-6/h1,7H,12H2.
What are the key properties of 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile?
3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 264.03 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-5-(difluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 171829481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).