2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C10H11ClN2O2 — CID 13408084

IUPAC2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1c(C#N)c(Cl)nc(C)c1OC
InChIInChI=1S/C10H11ClN2O2/c1-6-9(15-3)8(5-14-2)7(4-12)10(11)13-6/h5H2,1-3H3
InChIKeyUYSIXZZWMKKZOJ-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 13408084) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID13408084
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1c(C#N)c(Cl)nc(C)c1OC
InChIInChI=1S/C10H11ClN2O2/c1-6-9(15-3)8(5-14-2)7(4-12)10(11)13-6/h5H2,1-3H3
InChIKeyUYSIXZZWMKKZOJ-UHFFFAOYSA-N
XLogP2.07
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(6-chloro-5-cyano-2,4-dimethyl-3-pyridinyl)acetate
CID 84613491
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
5-fluoro-4-(methoxymethyl)-2-methylpyridine-3-carbonitrile
CID 90328866
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile
CID 3686140
5-(chloromethyl)-3-methoxy-4-(methoxymethyl)-2-methylpyridine
CID 14174287
2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile
CID 59311782
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile
CID 165085209
ethyl N-[6-chloro-5-cyano-2-methyl-4-(phenoxymethyl)-3-pyridinyl]carbamate
CID 159390280
4-chloro-2,3-dimethoxy-6-methylbenzonitrile
CID 117302239
5-chloro-3-methoxy-6-methylpyrazine-2-carbonitrile
CID 118653036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 13408084) is 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1c(C#N)c(Cl)nc(C)c1OC.
What is the InChIKey of 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is UYSIXZZWMKKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6-9(15-3)8(5-14-2)7(4-12)10(11)13-6/h5H2,1-3H3.
What are the key properties of 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 226.66 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 13408084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).