4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile

C7H6F2N4 — CID 130098584

IUPAC4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(C(F)F)c(N)n1
InChIInChI=1S/C7H6F2N4/c8-6(9)5-4(11)1-3(2-10)13-7(5)12/h1,6H,(H4,11,12,13)
InChIKeyQEYQOLDNXYOENW-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.06
Rot. Bonds1

About 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile

4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130098584) has the molecular formula C7H6F2N4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130098584
Molecular FormulaC7H6F2N4
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N)c(C(F)F)c(N)n1
InChIInChI=1S/C7H6F2N4/c8-6(9)5-4(11)1-3(2-10)13-7(5)12/h1,6H,(H4,11,12,13)
InChIKeyQEYQOLDNXYOENW-UHFFFAOYSA-N
XLogP1.06
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118800135
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 119015380
2-amino-6-cyano-3-(difluoromethyl)pyridine-4-carboxamide
CID 118995384
4-amino-6-cyano-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118851281
4-amino-5,6-difluoropyridine-2-carbonitrile
CID 70497940
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130102414
4-bromo-6-cyano-3-(difluoromethyl)pyridine-2-sulfonamide
CID 118822647
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649
5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094598
2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134683339
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794
2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 118817715

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile (CID 130098584) is 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(N)c(C(F)F)c(N)n1.
What is the InChIKey of 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is QEYQOLDNXYOENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4/c8-6(9)5-4(11)1-3(2-10)13-7(5)12/h1,6H,(H4,11,12,13).
What are the key properties of 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile?
4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130098584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).