2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C13H7N5O4 — CID 169392987

IUPAC2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H7N5O4/c14-4-8-11(9(5-15)13(20)17-12(8)16)7-3-6(18(21)22)1-2-10(7)19/h1-3,19H,(H3,16,17,20)
InChIKeyRUNDHEGPFVOVQF-UHFFFAOYSA-N
MW297.23 g/mol
LogP0.98
Rot. Bonds2

About 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169392987) has the molecular formula C13H7N5O4 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169392987
Molecular FormulaC13H7N5O4
Molecular Weight297.23 g/mol
Exact Mass297.05
IUPAC Name2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H7N5O4/c14-4-8-11(9(5-15)13(20)17-12(8)16)7-3-6(18(21)22)1-2-10(7)19/h1-3,19H,(H3,16,17,20)
InChIKeyRUNDHEGPFVOVQF-UHFFFAOYSA-N
XLogP0.98
TPSA169.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393298
tert-butyl 3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-hydroxybenzoate
CID 169395234
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395729
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-6-methoxy-4-nitrophenoxy]acetic acid
CID 169394528
2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393025
2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393277
2-amino-4-[3-(3-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393913
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395815
2-amino-4-[3-methoxy-4-(4-nitrophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394466
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169392987) is 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is RUNDHEGPFVOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5O4/c14-4-8-11(9(5-15)13(20)17-12(8)16)7-3-6(18(21)22)1-2-10(7)19/h1-3,19H,(H3,16,17,20).
What are the key properties of 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 297.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169392987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).