3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile

C13H14ClN3O — CID 107058535

IUPAC3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile
SMILESCOCC1=CCN(c2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H14ClN3O/c1-18-9-10-3-6-17(7-4-10)13-12(14)11(8-15)2-5-16-13/h2-3,5H,4,6-7,9H2,1H3
InChIKeyCQFSCXJOENRTNO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.39
Rot. Bonds3

About 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile

3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile (PubChem CID 107058535) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile
PubChem CID107058535
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile
SMILESCOCC1=CCN(c2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H14ClN3O/c1-18-9-10-3-6-17(7-4-10)13-12(14)11(8-15)2-5-16-13/h2-3,5H,4,6-7,9H2,1H3
InChIKeyCQFSCXJOENRTNO-UHFFFAOYSA-N
XLogP2.39
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carboxylic acid
CID 107063089
3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
CID 107059231
[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114412419
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4-methylpyridine-3-carboxylic acid
CID 114413607
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile
CID 114383024
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
CID 114056413
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone
CID 114055607
3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile (CID 107058535) is 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile is COCC1=CCN(c2nccc(C#N)c2Cl)CC1.
What is the InChIKey of 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile?
The InChIKey is CQFSCXJOENRTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-18-9-10-3-6-17(7-4-10)13-12(14)11(8-15)2-5-16-13/h2-3,5H,4,6-7,9H2,1H3.
What are the key properties of 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile?
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile has a molecular weight of 263.73 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 107058535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).