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

C12H14ClF3N2O — CID 61222950

IUPAC1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2ncc(C(F)(F)F)cc2Cl)CCCC1
InChIInChI=1S/C12H14ClF3N2O/c13-9-5-8(12(14,15)16)6-17-10(9)18-7-11(19)3-1-2-4-11/h5-6,19H,1-4,7H2,(H,17,18)
InChIKeyLVZHYQNAQYGCQL-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.47
Rot. Bonds3

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

1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol (PubChem CID 61222950) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
PubChem CID61222950
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2ncc(C(F)(F)F)cc2Cl)CCCC1
InChIInChI=1S/C12H14ClF3N2O/c13-9-5-8(12(14,15)16)6-17-10(9)18-7-11(19)3-1-2-4-11/h5-6,19H,1-4,7H2,(H,17,18)
InChIKeyLVZHYQNAQYGCQL-UHFFFAOYSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol (CID 61222950) is 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol is OC1(CNc2ncc(C(F)(F)F)cc2Cl)CCCC1.
What is the InChIKey of 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is LVZHYQNAQYGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c13-9-5-8(12(14,15)16)6-17-10(9)18-7-11(19)3-1-2-4-11/h5-6,19H,1-4,7H2,(H,17,18).
What are the key properties of 1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 294.70 g/mol, XLogP of 3.47, 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]methyl]cyclopentan-1-ol is sourced from PubChem (CID 61222950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).