2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile

C17H17ClN2O — CID 107058931

IUPAC2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
SMILESCc1ccc(C(C)(C)C)c(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-5-6-13(17(2,3)4)14(9-11)21-16-15(18)12(10-19)7-8-20-16/h5-9H,1-4H3
InChIKeySKLVYMXGLKKXEM-UHFFFAOYSA-N
MW300.79 g/mol
LogP5.00
Rot. Bonds2

About 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile

2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile (PubChem CID 107058931) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
PubChem CID107058931
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
SMILESCc1ccc(C(C)(C)C)c(Oc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-5-6-13(17(2,3)4)14(9-11)21-16-15(18)12(10-19)7-8-20-16/h5-9H,1-4H3
InChIKeySKLVYMXGLKKXEM-UHFFFAOYSA-N
XLogP5.00
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.79
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
2-(2-tert-butyl-5-methylphenoxy)-4-chlorobenzonitrile
CID 63513427
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
4-(2-tert-butyl-5-methylphenoxy)-2-methylbenzonitrile
CID 81273121
2-(2-tert-butylphenoxy)-4-methylbenzonitrile
CID 63510539
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
3-(2-tert-butyl-4-methylphenoxy)pyrazine-2-carbonitrile
CID 62685224
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
3-chloro-2-(2-methylbutan-2-yloxy)pyridine-4-carbonitrile
CID 107058917

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile (CID 107058931) is 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile is Cc1ccc(C(C)(C)C)c(Oc2nccc(C#N)c2Cl)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile?
The InChIKey is SKLVYMXGLKKXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-5-6-13(17(2,3)4)14(9-11)21-16-15(18)12(10-19)7-8-20-16/h5-9H,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile?
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile has a molecular weight of 300.79 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107058931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).