2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol

C10H12ClF3N2O — CID 102715498

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF3N2O/c1-2-7(5-17)15-9-4-6(10(12,13)14)3-8(11)16-9/h3-4,7,17H,2,5H2,1H3,(H,15,16)
InChIKeyDPFZTRLKCYPRIL-UHFFFAOYSA-N
MW268.67 g/mol
LogP2.94
Rot. Bonds4

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol (PubChem CID 102715498) has the molecular formula C10H12ClF3N2O and a molecular weight of 268.67 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
PubChem CID102715498
Molecular FormulaC10H12ClF3N2O
Molecular Weight268.67 g/mol
Exact Mass268.06
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
SMILESCCC(CO)Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H12ClF3N2O/c1-2-7(5-17)15-9-4-6(10(12,13)14)3-8(11)16-9/h3-4,7,17H,2,5H2,1H3,(H,15,16)
InChIKeyDPFZTRLKCYPRIL-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

Computed Properties (RDKit)

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

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Related Compounds

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CID 18186875
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CID 20339534
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CID 20339624
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CID 28875856
CID 28875856
CID 28875858
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CID 57512917
CID 57512917

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol (CID 102715498) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol is CCC(CO)Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
The InChIKey is DPFZTRLKCYPRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O/c1-2-7(5-17)15-9-4-6(10(12,13)14)3-8(11)16-9/h3-4,7,17H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-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 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 102715498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).