6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile

C18H14N2O — CID 91664527

IUPAC6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile
SMILESC[C@@H](O)c1ccncc1-c1ccc2cc(C#N)ccc2c1
InChIInChI=1S/C18H14N2O/c1-12(21)17-6-7-20-11-18(17)16-5-4-14-8-13(10-19)2-3-15(14)9-16/h2-9,11-12,21H,1H3/t12-/m1/s1
InChIKeyHHVZPDMPRDIAFV-GFCCVEGCSA-N
MW274.32 g/mol
LogP3.83
Rot. Bonds2

About 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile

6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile (PubChem CID 91664527) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile
PubChem CID91664527
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile
SMILESC[C@@H](O)c1ccncc1-c1ccc2cc(C#N)ccc2c1
InChIInChI=1S/C18H14N2O/c1-12(21)17-6-7-20-11-18(17)16-5-4-14-8-13(10-19)2-3-15(14)9-16/h2-9,11-12,21H,1H3/t12-/m1/s1
InChIKeyHHVZPDMPRDIAFV-GFCCVEGCSA-N
XLogP3.83
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile (CID 91664527) is 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile is C[C@@H](O)c1ccncc1-c1ccc2cc(C#N)ccc2c1.
What is the InChIKey of 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile?
The InChIKey is HHVZPDMPRDIAFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H14N2O/c1-12(21)17-6-7-20-11-18(17)16-5-4-14-8-13(10-19)2-3-15(14)9-16/h2-9,11-12,21H,1H3/t12-/m1/s1.
What are the key properties of 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile?
6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-1-hydroxyethyl]-3-pyridinyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 91664527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).