2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C10H10F3N3O2 — CID 79877007

IUPAC2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC(O)CO
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)8-2-1-6(3-14)9(16-8)15-4-7(18)5-17/h1-2,7,17-18H,4-5H2,(H,15,16)
InChIKeyPBTWGAGKLDXEMK-UHFFFAOYSA-N
MW261.20 g/mol
LogP0.74
Rot. Bonds4

About 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877007) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877007
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NCC(O)CO
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)8-2-1-6(3-14)9(16-8)15-4-7(18)5-17/h1-2,7,17-18H,4-5H2,(H,15,16)
InChIKeyPBTWGAGKLDXEMK-UHFFFAOYSA-N
XLogP0.74
TPSA89.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877084
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutanoic acid
CID 80539504
2-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133399139
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 79868853
2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106130022

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877007) is 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PBTWGAGKLDXEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)8-2-1-6(3-14)9(16-8)15-4-7(18)5-17/h1-2,7,17-18H,4-5H2,(H,15,16).
What are the key properties of 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 261.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).