1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol

C10H12ClF3N2O2 — CID 171858601

IUPAC1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C10H12ClF3N2O2/c1-15-4-7(17)8(18)6-2-5(10(12,13)14)3-16-9(6)11/h2-3,7-8,15,17-18H,4H2,1H3
InChIKeyDVJBNJBOYHXPRE-UHFFFAOYSA-N
MW284.67 g/mol
LogP1.37
Rot. Bonds4

About 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol

1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol (PubChem CID 171858601) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol
PubChem CID171858601
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Name1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C10H12ClF3N2O2/c1-15-4-7(17)8(18)6-2-5(10(12,13)14)3-16-9(6)11/h2-3,7-8,15,17-18H,4H2,1H3
InChIKeyDVJBNJBOYHXPRE-UHFFFAOYSA-N
XLogP1.37
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717
benzyl N-[4-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3,4-dihydroxybutyl]carbamate
CID 171889085
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)-2-methylpropan-1-ol
CID 167267153
1-[5-amino-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858596
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858474
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol
CID 171859145
1-(5-amino-2-methoxy-3-pyridinyl)-3-(methylamino)propane-1,2-diol
CID 171857957

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol (CID 171858601) is 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cc(C(F)(F)F)cnc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol?
The InChIKey is DVJBNJBOYHXPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2/c1-15-4-7(17)8(18)6-2-5(10(12,13)14)3-16-9(6)11/h2-3,7-8,15,17-18H,4H2,1H3.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol?
1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol has a molecular weight of 284.67 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171858601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).