4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

C10H12ClF3N2O — CID 53410038

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCC(O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-6(17)2-3-15-9-8(11)4-7(5-16-9)10(12,13)14/h4-6,17H,2-3H2,1H3,(H,15,16)
InChIKeyCSHWZGNMBVDQQH-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.94
Rot. Bonds4

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (PubChem CID 53410038) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
PubChem CID53410038
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCC(O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H12ClF3N2O/c1-6(17)2-3-15-9-8(11)4-7(5-16-9)10(12,13)14/h4-6,17H,2-3H2,1H3,(H,15,16)
InChIKeyCSHWZGNMBVDQQH-UHFFFAOYSA-N
XLogP2.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
N'-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 158421332
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 107320716
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoylamino]butanoic acid
CID 119347900
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-propan-2-ylamino]propanoic acid
CID 120520175
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (CID 53410038) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is CC(O)CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The InChIKey is CSHWZGNMBVDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-6(17)2-3-15-9-8(11)4-7(5-16-9)10(12,13)14/h4-6,17H,2-3H2,1H3,(H,15,16).
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol has a molecular weight of 268.67 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 53410038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).