6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile

C9H10ClN3O — CID 130594861

IUPAC6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile
SMILESCc1nc(OCCN)c(Cl)cc1C#N
InChIInChI=1S/C9H10ClN3O/c1-6-7(5-12)4-8(10)9(13-6)14-3-2-11/h4H,2-3,11H2,1H3
InChIKeyVLIUNSMVUKOXNS-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.25
Rot. Bonds3

About 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile

6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile (PubChem CID 130594861) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile
PubChem CID130594861
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile
SMILESCc1nc(OCCN)c(Cl)cc1C#N
InChIInChI=1S/C9H10ClN3O/c1-6-7(5-12)4-8(10)9(13-6)14-3-2-11/h4H,2-3,11H2,1H3
InChIKeyVLIUNSMVUKOXNS-UHFFFAOYSA-N
XLogP1.25
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride
CID 159882426
2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989
2-(3-aminopropoxy)-3-chloropyridine-4-carbonitrile
CID 107061653
2-(4-chloro-2,5-dimethylphenoxy)ethanamine
CID 84669181
5-chloro-6-[3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carbonitrile
CID 166236300
5-chloro-2-(ethylamino)-6-methylpyridine-3-carbonitrile
CID 155040649
6-(aminomethyl)-2-methylpyridine-3-carbonitrile
CID 82502522
5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile
CID 146143439
6-methyl-2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 14640634
2-bromo-6-methylpyridine-3,5-dicarbonitrile
CID 12535770
3-(2-aminoethoxy)-1,2-benzoxazole-4-carbonitrile
CID 10420409
2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine
CID 62476059

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile (CID 130594861) is 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile is Cc1nc(OCCN)c(Cl)cc1C#N.
What is the InChIKey of 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile?
The InChIKey is VLIUNSMVUKOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-6-7(5-12)4-8(10)9(13-6)14-3-2-11/h4H,2-3,11H2,1H3.
What are the key properties of 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile?
6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile has a molecular weight of 211.65 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130594861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).