1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

C9H10ClF3N2O — CID 43388784

IUPAC1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O/c1-5(16)3-14-8-7(10)2-6(4-15-8)9(11,12)13/h2,4-5,16H,3H2,1H3,(H,14,15)
InChIKeyBUWHSBADQKRBBQ-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.55
Rot. Bonds3

About 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (PubChem CID 43388784) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
PubChem CID43388784
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
SMILESCC(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O/c1-5(16)3-14-8-7(10)2-6(4-15-8)9(11,12)13/h2,4-5,16H,3H2,1H3,(H,14,15)
InChIKeyBUWHSBADQKRBBQ-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol
CID 52579767
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentanoic acid
CID 65224425
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
(2S)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 52756844
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
CID 115310843

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol (CID 43388784) is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is CC(O)CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
The InChIKey is BUWHSBADQKRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-5(16)3-14-8-7(10)2-6(4-15-8)9(11,12)13/h2,4-5,16H,3H2,1H3,(H,14,15).
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol?
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol has a molecular weight of 254.64 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 43388784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).