5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine

C13H10ClF4N5O2 — CID 159555517

IUPAC5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine
SMILESN#Cc1cc(N)cnc1OC(F)F.Nc1cnc(OC(F)F)c(Cl)c1
InChIInChI=1S/C7H5F2N3O.C6H5ClF2N2O/c8-7(9)13-6-4(2-10)1-5(11)3-12-6;7-4-1-3(10)2-11-5(4)12-6(8)9/h1,3,7H,11H2;1-2,6H,10H2
InChIKeyMFYBTDLCPNSBNL-UHFFFAOYSA-N
MW379.70 g/mol
LogP3.06
Rot. Bonds4

About 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine

5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine (PubChem CID 159555517) has the molecular formula C13H10ClF4N5O2 and a molecular weight of 379.70 g/mol. Its IUPAC name is 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine
PubChem CID159555517
Molecular FormulaC13H10ClF4N5O2
Molecular Weight379.70 g/mol
Exact Mass379.05
IUPAC Name5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine
SMILESN#Cc1cc(N)cnc1OC(F)F.Nc1cnc(OC(F)F)c(Cl)c1
InChIInChI=1S/C7H5F2N3O.C6H5ClF2N2O/c8-7(9)13-6-4(2-10)1-5(11)3-12-6;7-4-1-3(10)2-11-5(4)12-6(8)9/h1,3,7H,11H2;1-2,6H,10H2
InChIKeyMFYBTDLCPNSBNL-UHFFFAOYSA-N
XLogP3.06
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.70
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine?
The IUPAC name of 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine (CID 159555517) is 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine is N#Cc1cc(N)cnc1OC(F)F.Nc1cnc(OC(F)F)c(Cl)c1.
What is the InChIKey of 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine?
The InChIKey is MFYBTDLCPNSBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O.C6H5ClF2N2O/c8-7(9)13-6-4(2-10)1-5(11)3-12-6;7-4-1-3(10)2-11-5(4)12-6(8)9/h1,3,7H,11H2;1-2,6H,10H2.
What are the key properties of 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine?
5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine has a molecular weight of 379.70 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(difluoromethoxy)pyridine-3-carbonitrile;5-chloro-6-(difluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 159555517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).