4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile

C15H14ClN3O2 — CID 62884936

IUPAC4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
SMILESCNc1ccc(Cl)c(COc2ccc(C#N)cc2OC)n1
InChIInChI=1S/C15H14ClN3O2/c1-18-15-6-4-11(16)12(19-15)9-21-13-5-3-10(8-17)7-14(13)20-2/h3-7H,9H2,1-2H3,(H,18,19)
InChIKeyAGKWKQCTOIWASJ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.24
Rot. Bonds5

About 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile

4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile (PubChem CID 62884936) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
PubChem CID62884936
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
SMILESCNc1ccc(Cl)c(COc2ccc(C#N)cc2OC)n1
InChIInChI=1S/C15H14ClN3O2/c1-18-15-6-4-11(16)12(19-15)9-21-13-5-3-10(8-17)7-14(13)20-2/h3-7H,9H2,1-2H3,(H,18,19)
InChIKeyAGKWKQCTOIWASJ-UHFFFAOYSA-N
XLogP3.24
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
4-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methoxy]-3-methoxybenzonitrile
CID 80664805
3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 104693556
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
CID 63487402
4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 79244990
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile (CID 62884936) is 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile is CNc1ccc(Cl)c(COc2ccc(C#N)cc2OC)n1.
What is the InChIKey of 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
The InChIKey is AGKWKQCTOIWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-18-15-6-4-11(16)12(19-15)9-21-13-5-3-10(8-17)7-14(13)20-2/h3-7H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile?
4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile has a molecular weight of 303.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-6-(methylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 62884936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).