2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile

C15H15N3O2 — CID 57162620

IUPAC2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(C[C@@H](N)CO)cc1
InChIInChI=1S/C15H15N3O2/c16-9-12-2-1-7-18-15(12)20-14-5-3-11(4-6-14)8-13(17)10-19/h1-7,13,19H,8,10,17H2/t13-/m1/s1
InChIKeyKAQQHCQTNAFGAJ-CYBMUJFWSA-N
MW269.30 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile

2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile (PubChem CID 57162620) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile
PubChem CID57162620
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(C[C@@H](N)CO)cc1
InChIInChI=1S/C15H15N3O2/c16-9-12-2-1-7-18-15(12)20-14-5-3-11(4-6-14)8-13(17)10-19/h1-7,13,19H,8,10,17H2/t13-/m1/s1
InChIKeyKAQQHCQTNAFGAJ-CYBMUJFWSA-N
XLogP1.61
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile (CID 57162620) is 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc(C[C@@H](N)CO)cc1.
What is the InChIKey of 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is KAQQHCQTNAFGAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-9-12-2-1-7-18-15(12)20-14-5-3-11(4-6-14)8-13(17)10-19/h1-7,13,19H,8,10,17H2/t13-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile?
2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 57162620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).