3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile

C12H15ClN2O — CID 107058766

IUPAC3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
SMILESCC(C)CC(C)Oc1nccc(C#N)c1Cl
InChIInChI=1S/C12H15ClN2O/c1-8(2)6-9(3)16-12-11(13)10(7-14)4-5-15-12/h4-5,8-9H,6H2,1-3H3
InChIKeyNLVFZNCYXRYPAQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.42
Rot. Bonds4

About 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile

3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile (PubChem CID 107058766) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
PubChem CID107058766
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile
SMILESCC(C)CC(C)Oc1nccc(C#N)c1Cl
InChIInChI=1S/C12H15ClN2O/c1-8(2)6-9(3)16-12-11(13)10(7-14)4-5-15-12/h4-5,8-9H,6H2,1-3H3
InChIKeyNLVFZNCYXRYPAQ-UHFFFAOYSA-N
XLogP3.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-6-((2-methylpyridin-4-yl)methoxy)isonicotinonitrile
CID 44410045
2-[(6-Chloropyridin-3-yl)methoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 1475141
2-Chloro-6-((2-chloropyridin-4-yl)methoxy)isonicotinonitrile
CID 44409803
2-(4-Chlorophenoxy)-4-methoxynicotinonitrile
CID 1470949
6-(4-Chlorophenoxy)nicotinonitrile
CID 514826
3-Chloro-2-ethoxypyridine
CID 11959087
6-(2-Methoxyethoxy)pyridine-3-carbonitrile
CID 24695049
3-Chloro-2-(propan-2-yloxy)-5-(trifluoromethyl)pyridine
CID 2386954
2-[2-(Dimethylamino)ethoxy]pyridine-3-carbonitrile
CID 12566180
(2-((4-Methylpentan-2-yl)oxy)pyridin-4-yl)methanamine
CID 18069811
2-(2-(Dimethylamino)ethoxy)pyridine-4-carbonitrile
CID 61102091
6-Ethoxypyridine-3-carbonitrile
CID 18929445

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile (CID 107058766) is 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile is CC(C)CC(C)Oc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile?
The InChIKey is NLVFZNCYXRYPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8(2)6-9(3)16-12-11(13)10(7-14)4-5-15-12/h4-5,8-9H,6H2,1-3H3.
What are the key properties of 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile?
3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile has a molecular weight of 238.72 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methylpentan-2-yloxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107058766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).