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

C14H14N2O — CID 56652975

IUPAC3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H14N2O/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/t12-,13+/m1/s1
InChIKeyNZVNIKNQTCIVQN-OLZOCXBDSA-N
MW226.28 g/mol
LogP2.27
Rot. Bonds2

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

3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol (PubChem CID 56652975) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol
PubChem CID56652975
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol
SMILESN[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H14N2O/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/t12-,13+/m1/s1
InChIKeyNZVNIKNQTCIVQN-OLZOCXBDSA-N
XLogP2.27
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol?
The IUPAC name of 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol (CID 56652975) is 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol.
What is the SMILES notation for 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol?
The canonical SMILES for 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol is N[C@H]1C[C@@H]1c1ccc(-c2cccc(O)c2)nc1.
What is the InChIKey of 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol?
The InChIKey is NZVNIKNQTCIVQN-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H14N2O/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/t12-,13+/m1/s1.
What are the key properties of 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol?
3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol has a molecular weight of 226.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]phenol is sourced from PubChem (CID 56652975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).