4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride

C14H15ClN2O — CID 66714293

IUPAC4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C14H14N2O.ClH/c15-13-7-12(13)14-6-3-10(8-16-14)9-1-4-11(17)5-2-9;/h1-6,8,12-13,17H,7,15H2;1H/t12-,13-;/m1./s1
InChIKeyHUXWEBAUGPFFEL-OJERSXHUSA-N
MW262.74 g/mol
LogP2.69
Rot. Bonds2

About 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride

4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride (PubChem CID 66714293) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride
PubChem CID66714293
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C14H14N2O.ClH/c15-13-7-12(13)14-6-3-10(8-16-14)9-1-4-11(17)5-2-9;/h1-6,8,12-13,17H,7,15H2;1H/t12-,13-;/m1./s1
InChIKeyHUXWEBAUGPFFEL-OJERSXHUSA-N
XLogP2.69
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride?
The IUPAC name of 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride (CID 66714293) is 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride.
What is the SMILES notation for 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride?
The canonical SMILES for 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride is Cl.N[C@@H]1C[C@H]1c1ccc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride?
The InChIKey is HUXWEBAUGPFFEL-OJERSXHUSA-N. The full InChI is InChI=1S/C14H14N2O.ClH/c15-13-7-12(13)14-6-3-10(8-16-14)9-1-4-11(17)5-2-9;/h1-6,8,12-13,17H,7,15H2;1H/t12-,13-;/m1./s1.
What are the key properties of 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride?
4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride is sourced from PubChem (CID 66714293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).