3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride

C14H16Cl2N2O — CID 66714505

IUPAC3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H]1c1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H14N2O.2ClH/c15-13-7-12(13)10-4-5-14(16-8-10)9-2-1-3-11(17)6-9;;/h1-6,8,12-13,17H,7,15H2;2*1H/t12-,13+;;/m0../s1
InChIKeyRGWWQGJCPULGDD-CQSOCPNPSA-N
MW299.20 g/mol
LogP3.11
Rot. Bonds2

About 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride

3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride (PubChem CID 66714505) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride.

Molecular Properties

Compound Name3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride
PubChem CID66714505
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H]1c1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H14N2O.2ClH/c15-13-7-12(13)10-4-5-14(16-8-10)9-2-1-3-11(17)6-9;;/h1-6,8,12-13,17H,7,15H2;2*1H/t12-,13+;;/m0../s1
InChIKeyRGWWQGJCPULGDD-CQSOCPNPSA-N
XLogP3.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride?
The IUPAC name of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride (CID 66714505) is 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride.
What is the SMILES notation for 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride?
The canonical SMILES for 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride is Cl.Cl.N[C@@H]1C[C@H]1c1ccc(-c2cccc(O)c2)nc1.
What is the InChIKey of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride?
The InChIKey is RGWWQGJCPULGDD-CQSOCPNPSA-N. The full InChI is InChI=1S/C14H14N2O.2ClH/c15-13-7-12(13)10-4-5-14(16-8-10)9-2-1-3-11(17)6-9;;/h1-6,8,12-13,17H,7,15H2;2*1H/t12-,13+;;/m0../s1.
What are the key properties of 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride?
3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride has a molecular weight of 299.20 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride is sourced from PubChem (CID 66714505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).