3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile

C16H9ClN2O2 — CID 107061464

IUPAC3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cc3ccccc3cc2O)c1Cl
InChIInChI=1S/C16H9ClN2O2/c17-15-12(9-18)5-6-19-16(15)21-14-8-11-4-2-1-3-10(11)7-13(14)20/h1-8,20H
InChIKeyGCCXNNWEKALMNW-UHFFFAOYSA-N
MW296.71 g/mol
LogP4.26
Rot. Bonds2

About 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile

3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile (PubChem CID 107061464) has the molecular formula C16H9ClN2O2 and a molecular weight of 296.71 g/mol. Its IUPAC name is 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
PubChem CID107061464
Molecular FormulaC16H9ClN2O2
Molecular Weight296.71 g/mol
Exact Mass296.04
IUPAC Name3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cc3ccccc3cc2O)c1Cl
InChIInChI=1S/C16H9ClN2O2/c17-15-12(9-18)5-6-19-16(15)21-14-8-11-4-2-1-3-10(11)7-13(14)20/h1-8,20H
InChIKeyGCCXNNWEKALMNW-UHFFFAOYSA-N
XLogP4.26
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 60869335
2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
CID 107058844
2-(2-butan-2-ylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058864
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
CID 107061466
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile (CID 107061464) is 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile is N#Cc1ccnc(Oc2cc3ccccc3cc2O)c1Cl.
What is the InChIKey of 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile?
The InChIKey is GCCXNNWEKALMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2O2/c17-15-12(9-18)5-6-19-16(15)21-14-8-11-4-2-1-3-10(11)7-13(14)20/h1-8,20H.
What are the key properties of 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile?
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile has a molecular weight of 296.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 107061464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).