7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile

C13H10ClN3O2 — CID 168932186

IUPAC7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cnc(Cl)cc2c(O[C@@H]2CCOC2)n1
InChIInChI=1S/C13H10ClN3O2/c14-12-4-11-8(6-16-12)3-9(5-15)17-13(11)19-10-1-2-18-7-10/h3-4,6,10H,1-2,7H2/t10-/m1/s1
InChIKeyQVLWAEUBRAFDSP-SNVBAGLBSA-N
MW275.69 g/mol
LogP2.32
Rot. Bonds2

About 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile

7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile (PubChem CID 168932186) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.69 g/mol. Its IUPAC name is 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile
PubChem CID168932186
Molecular FormulaC13H10ClN3O2
Molecular Weight275.69 g/mol
Exact Mass275.05
IUPAC Name7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cnc(Cl)cc2c(O[C@@H]2CCOC2)n1
InChIInChI=1S/C13H10ClN3O2/c14-12-4-11-8(6-16-12)3-9(5-15)17-13(11)19-10-1-2-18-7-10/h3-4,6,10H,1-2,7H2/t10-/m1/s1
InChIKeyQVLWAEUBRAFDSP-SNVBAGLBSA-N
XLogP2.32
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine
CID 168932255
7-chloro-1-(1-methylcyclopropyl)oxy-2,6-naphthyridine-3-carbonitrile
CID 168932340
6-methyl-2-(oxolan-3-yloxy)pyrimidine-4-carbonitrile
CID 107545937
2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile
CID 118036555
2-methyl-6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
CID 175925122
4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
CID 165381005
1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932275
6-chloro-3-methyl-2-(oxolan-3-yloxy)pyridine
CID 144854870
2,4-dichloro-5-(oxolan-3-yloxymethyl)pyridine
CID 116519481
6-[(3S)-oxolan-3-yl]oxyquinazoline-7-carbonitrile
CID 175925119
5-chloro-2-[(3R)-oxolan-3-yl]oxy-N-propan-2-ylpyridin-3-amine
CID 137449494
5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine
CID 118036259

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile (CID 168932186) is 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile is N#Cc1cc2cnc(Cl)cc2c(O[C@@H]2CCOC2)n1.
What is the InChIKey of 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile?
The InChIKey is QVLWAEUBRAFDSP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-12-4-11-8(6-16-12)3-9(5-15)17-13(11)19-10-1-2-18-7-10/h3-4,6,10H,1-2,7H2/t10-/m1/s1.
What are the key properties of 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile?
7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile has a molecular weight of 275.69 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 168932186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).