2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate

C10H11N3O3 — CID 659803

IUPAC2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
SMILESCc1cc(C(=O)OCCO)c(C#N)c(N)n1
InChIInChI=1S/C10H11N3O3/c1-6-4-7(10(15)16-3-2-14)8(5-11)9(12)13-6/h4,14H,2-3H2,1H3,(H2,12,13)
InChIKeyFEBHONZGXNBALR-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.01
Rot. Bonds3

About 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate

2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate (PubChem CID 659803) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
PubChem CID659803
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
SMILESCc1cc(C(=O)OCCO)c(C#N)c(N)n1
InChIInChI=1S/C10H11N3O3/c1-6-4-7(10(15)16-3-2-14)8(5-11)9(12)13-6/h4,14H,2-3H2,1H3,(H2,12,13)
InChIKeyFEBHONZGXNBALR-UHFFFAOYSA-N
XLogP-0.01
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-cyano-6-methyl-2-methylsulfanylpyridine-4-carboxylate
CID 2726217
ethyl 2-amino-3-cyano-6-[(Z)-1-cyano-3-ethoxy-2-methyl-3-oxoprop-1-enyl]pyridine-4-carboxylate
CID 11244337
ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
CID 69361208
2-amino-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 162577106
2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873761
4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile
CID 121309475
ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134664578
2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile
CID 59865318
ethyl 5-amino-4-cyanopyridine-3-carboxylate
CID 131116989
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
ethyl 2-cyano-3-ethyl-5-fluorobenzoate
CID 134643124
2-hydroxyethyl 2,4,5-trimethoxybenzoate
CID 35514388

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
The IUPAC name of 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate (CID 659803) is 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate is Cc1cc(C(=O)OCCO)c(C#N)c(N)n1.
What is the InChIKey of 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
The InChIKey is FEBHONZGXNBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-4-7(10(15)16-3-2-14)8(5-11)9(12)13-6/h4,14H,2-3H2,1H3,(H2,12,13).
What are the key properties of 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate?
2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate has a molecular weight of 221.22 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 659803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).