4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

C10H13N3O2 — CID 171900636

IUPAC4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1cc(N)cnc1C(O)C(O)CC#N
InChIInChI=1S/C10H13N3O2/c1-6-4-7(12)5-13-9(6)10(15)8(14)2-3-11/h4-5,8,10,14-15H,2,12H2,1H3
InChIKeyBCFMAJZHYHNEPR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.28
Rot. Bonds3

About 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile

4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900636) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900636
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1cc(N)cnc1C(O)C(O)CC#N
InChIInChI=1S/C10H13N3O2/c1-6-4-7(12)5-13-9(6)10(15)8(14)2-3-11/h4-5,8,10,14-15H,2,12H2,1H3
InChIKeyBCFMAJZHYHNEPR-UHFFFAOYSA-N
XLogP0.28
TPSA103.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900676
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
4-(3-amino-5-methylphenyl)-3,4-dihydroxybutanenitrile
CID 171900704
6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343
2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901339
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
CID 171900457
3-chloro-1-(5-chloro-3-methyl-2-pyridinyl)propane-1,2-diol
CID 171861743
2-[(5-amino-3-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile
CID 62475667
1-(3-amino-5-methyl-2-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819550
4-(2-amino-3-methyl-5-nitrophenyl)-3,4-dihydroxybutanenitrile
CID 171901601
4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900436
4-(4-bromo-3-methylphenyl)-3,4-dihydroxybutanenitrile
CID 171902029

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900636) is 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is Cc1cc(N)cnc1C(O)C(O)CC#N.
What is the InChIKey of 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is BCFMAJZHYHNEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-4-7(12)5-13-9(6)10(15)8(14)2-3-11/h4-5,8,10,14-15H,2,12H2,1H3.
What are the key properties of 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile has a molecular weight of 207.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).