1-(3,5-dichloro-2-pyridinyl)azepan-4-ol

C11H14Cl2N2O — CID 128509432

IUPAC1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
SMILESOC1CCCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O/c12-8-6-10(13)11(14-7-8)15-4-1-2-9(16)3-5-15/h6-7,9,16H,1-5H2
InChIKeyQXTHOXFZHRNFCB-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.74
Rot. Bonds1

About 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol

1-(3,5-dichloro-2-pyridinyl)azepan-4-ol (PubChem CID 128509432) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
PubChem CID128509432
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
SMILESOC1CCCN(c2ncc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O/c12-8-6-10(13)11(14-7-8)15-4-1-2-9(16)3-5-15/h6-7,9,16H,1-5H2
InChIKeyQXTHOXFZHRNFCB-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Chloropyridin-2-yl)piperidin-4-ol
CID 29997198
2-[(5-Chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
CID 79727358
1-{2-[(5-Chloro-3-fluoro-2-pyridinyl)amino]ethyl}-3-piperidinol
CID 45228384
(3R*,4R*)-1-(5-chloro-3-fluoropyridin-2-yl)-4-ethylpiperidine-3,4-diol
CID 70755534
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ol
CID 1486943
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 53408254
4-[(3-Chloropyridin-2-yl)amino]cyclohexan-1-ol
CID 28555961
(S)-1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-ol
CID 53582358
(3R*,4R*)-1-(3-chloro-2-pyridinyl)-4-(hydroxymethyl)-3-piperidinol
CID 56886087
3-[4-(5-Chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]propan-1-ol
CID 72103407
4-[(5-Chloro-3-fluoro-2-pyridinyl)amino]cyclohexan-1-ol
CID 79727921
[4-(5-Chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol
CID 84586298

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol (CID 128509432) is 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol is OC1CCCN(c2ncc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol?
The InChIKey is QXTHOXFZHRNFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-8-6-10(13)11(14-7-8)15-4-1-2-9(16)3-5-15/h6-7,9,16H,1-5H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol?
1-(3,5-dichloro-2-pyridinyl)azepan-4-ol has a molecular weight of 261.15 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)azepan-4-ol is sourced from PubChem (CID 128509432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).