2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol

C16H16F3N3O — CID 130239056

IUPAC2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol
SMILES[H]/N=C/c1cc(C(F)(F)F)ccc1Nc1cncc(C(C)(C)O)c1
InChIInChI=1S/C16H16F3N3O/c1-15(2,23)12-6-13(9-21-8-12)22-14-4-3-11(16(17,18)19)5-10(14)7-20/h3-9,20,22-23H,1-2H3/b20-7+
InChIKeyFUVJKEGLGPNBHH-IFRROFPPSA-N
MW323.32 g/mol
LogP4.07
Rot. Bonds4

About 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol

2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol (PubChem CID 130239056) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol
PubChem CID130239056
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol
SMILES[H]/N=C/c1cc(C(F)(F)F)ccc1Nc1cncc(C(C)(C)O)c1
InChIInChI=1S/C16H16F3N3O/c1-15(2,23)12-6-13(9-21-8-12)22-14-4-3-11(16(17,18)19)5-10(14)7-20/h3-9,20,22-23H,1-2H3/b20-7+
InChIKeyFUVJKEGLGPNBHH-IFRROFPPSA-N
XLogP4.07
TPSA69.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[5-(5-chloro-2-methanimidoylanilino)-3-pyridinyl]propan-2-ol
CID 144651990
2-[5-(4,5-difluoro-2-methanimidoylanilino)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 123189877
3-methanimidoyl-4-[3-(trifluoromethyl)anilino]benzoic acid
CID 91425564
2,2,2-trifluoro-1-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-1-(2H-indazol-3-yl)ethanol
CID 143689485
2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
CID 171343423
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-amine
CID 113423559
(difluoroamino)-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;N-methylmethanamine
CID 143689587
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532313
2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 143075908
2-[2-(methyliminomethyl)-4-[2,2,2-trifluoro-1-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-1-hydroxyethyl]pyrrol-1-yl]acetamide
CID 143689400
(2R)-1-[3-[2,2,2-trifluoro-1-[4-(4-fluoroanilino)-3-methanimidoylphenyl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 143689424
4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 143670942

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol (CID 130239056) is 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol is [H]/N=C/c1cc(C(F)(F)F)ccc1Nc1cncc(C(C)(C)O)c1.
What is the InChIKey of 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol?
The InChIKey is FUVJKEGLGPNBHH-IFRROFPPSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-15(2,23)12-6-13(9-21-8-12)22-14-4-3-11(16(17,18)19)5-10(14)7-20/h3-9,20,22-23H,1-2H3/b20-7+.
What are the key properties of 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol?
2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol has a molecular weight of 323.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-methanimidoyl-4-(trifluoromethyl)anilino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 130239056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).