3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol

C12H15ClN2O — CID 107383636

IUPAC3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol
SMILESNc1ncc(Cl)cc1C1=CC(O)CCCC1
InChIInChI=1S/C12H15ClN2O/c13-9-6-11(12(14)15-7-9)8-3-1-2-4-10(16)5-8/h5-7,10,16H,1-4H2,(H2,14,15)
InChIKeyFTHNGMLVVYIDMG-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.64
Rot. Bonds1

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

3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol (PubChem CID 107383636) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol
PubChem CID107383636
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol
SMILESNc1ncc(Cl)cc1C1=CC(O)CCCC1
InChIInChI=1S/C12H15ClN2O/c13-9-6-11(12(14)15-7-9)8-3-1-2-4-10(16)5-8/h5-7,10,16H,1-4H2,(H2,14,15)
InChIKeyFTHNGMLVVYIDMG-UHFFFAOYSA-N
XLogP2.64
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol?
The IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol (CID 107383636) is 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol.
What is the SMILES notation for 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol?
The canonical SMILES for 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol is Nc1ncc(Cl)cc1C1=CC(O)CCCC1.
What is the InChIKey of 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol?
The InChIKey is FTHNGMLVVYIDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-9-6-11(12(14)15-7-9)8-3-1-2-4-10(16)5-8/h5-7,10,16H,1-4H2,(H2,14,15).
What are the key properties of 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol?
3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol has a molecular weight of 238.72 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloro-3-pyridinyl)cyclohept-2-en-1-ol is sourced from PubChem (CID 107383636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).