1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol

C12H17ClN2O2 — CID 106873494

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H17ClN2O2/c1-17-10-4-2-3-5-12(10,16)9-6-8(13)7-15-11(9)14/h6-7,10,16H,2-5H2,1H3,(H2,14,15)
InChIKeyWTCOJZCVLLQPGO-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.09
Rot. Bonds2

About 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol

1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol (PubChem CID 106873494) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol
PubChem CID106873494
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H17ClN2O2/c1-17-10-4-2-3-5-12(10,16)9-6-8(13)7-15-11(9)14/h6-7,10,16H,2-5H2,1H3,(H2,14,15)
InChIKeyWTCOJZCVLLQPGO-UHFFFAOYSA-N
XLogP2.09
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol (CID 106873494) is 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol is COC1CCCCC1(O)c1cc(Cl)cnc1N.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol?
The InChIKey is WTCOJZCVLLQPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-10-4-2-3-5-12(10,16)9-6-8(13)7-15-11(9)14/h6-7,10,16H,2-5H2,1H3,(H2,14,15).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol?
1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol has a molecular weight of 256.73 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 106873494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).