6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile

C10H10F3N3O2 — CID 118037495

IUPAC6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile
SMILESCOCC(Oc1cc(N)ncc1C#N)C(F)(F)F
InChIInChI=1S/C10H10F3N3O2/c1-17-5-8(10(11,12)13)18-7-2-9(15)16-4-6(7)3-14/h2,4,8H,5H2,1H3,(H2,15,16)
InChIKeyXXMKFSNYKMZXFF-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.49
Rot. Bonds4

About 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile

6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile (PubChem CID 118037495) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile
PubChem CID118037495
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile
SMILESCOCC(Oc1cc(N)ncc1C#N)C(F)(F)F
InChIInChI=1S/C10H10F3N3O2/c1-17-5-8(10(11,12)13)18-7-2-9(15)16-4-6(7)3-14/h2,4,8H,5H2,1H3,(H2,15,16)
InChIKeyXXMKFSNYKMZXFF-UHFFFAOYSA-N
XLogP1.49
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-4-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
CID 118037497
6-amino-4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 118036473
N-[5-cyano-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036518
6-amino-4-(2-methoxypropylamino)pyridine-3-carbonitrile
CID 118036603
6-amino-4-(oxolan-2-ylmethoxy)pyridine-3-carbonitrile
CID 118036975
5-amino-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carbonitrile
CID 66276281
6-tert-butyl-4-methoxypyridine-3-carbonitrile
CID 82403915
2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile
CID 43752912
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
4-amino-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
CID 170900456
4-(3-methoxypropoxy)-2-(trifluoromethyl)benzonitrile
CID 54936581
5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 55010953

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile (CID 118037495) is 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile is COCC(Oc1cc(N)ncc1C#N)C(F)(F)F.
What is the InChIKey of 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile?
The InChIKey is XXMKFSNYKMZXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c1-17-5-8(10(11,12)13)18-7-2-9(15)16-4-6(7)3-14/h2,4,8H,5H2,1H3,(H2,15,16).
What are the key properties of 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile?
6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile has a molecular weight of 261.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-3-carbonitrile is sourced from PubChem (CID 118037495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).