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

C8H4F5N3O — CID 119001123

IUPAC2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cc(C(F)F)nc1N
InChIInChI=1S/C8H4F5N3O/c9-6(10)4-1-5(17-8(11,12)13)3(2-14)7(15)16-4/h1,6H,(H2,15,16)
InChIKeyBFFQAWMDAOYKIG-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.37
Rot. Bonds2

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

2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 119001123) has the molecular formula C8H4F5N3O and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID119001123
Molecular FormulaC8H4F5N3O
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cc(C(F)F)nc1N
InChIInChI=1S/C8H4F5N3O/c9-6(10)4-1-5(17-8(11,12)13)3(2-14)7(15)16-4/h1,6H,(H2,15,16)
InChIKeyBFFQAWMDAOYKIG-UHFFFAOYSA-N
XLogP2.37
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130103307
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630346
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673
2-[2-bromo-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022396
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119014377
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134671001
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
6-amino-2-nitro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096269
6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118839308
6-(difluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134663177

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 119001123) is 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(OC(F)(F)F)cc(C(F)F)nc1N.
What is the InChIKey of 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is BFFQAWMDAOYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5N3O/c9-6(10)4-1-5(17-8(11,12)13)3(2-14)7(15)16-4/h1,6H,(H2,15,16).
What are the key properties of 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 253.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 119001123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).