1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine

C16H13N5O3 — CID 100573604

IUPAC1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C16H13N5O3/c17-16(20-15-8-7-10(9-18-15)21(23)24)19-13-5-1-4-12-11(13)3-2-6-14(12)22/h1-9,22H,(H3,17,18,19,20)
InChIKeyKFUGZBGOELOFMV-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.91
Rot. Bonds3

About 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine

1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine (PubChem CID 100573604) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine.

Molecular Properties

Compound Name1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine
PubChem CID100573604
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C16H13N5O3/c17-16(20-15-8-7-10(9-18-15)21(23)24)19-13-5-1-4-12-11(13)3-2-6-14(12)22/h1-9,22H,(H3,17,18,19,20)
InChIKeyKFUGZBGOELOFMV-UHFFFAOYSA-N
XLogP2.91
TPSA126.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
CID 136665588
2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine
CID 133185641
N-(5-hydroxy-7-nitronaphthalen-1-yl)acetamide
CID 163233093
N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 100573733
4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100573962
1-hydroxy-N-(5-nitro-2-pyridinyl)pyridin-2-imine
CID 139214633
(3S)-3-methyl-N'-(5-nitro-2-pyridinyl)piperidine-1-carboximidamide
CID 124908137
2-isothiocyanato-5-nitropyridine
CID 12866943
N-(5-hydroxy-7-nitronaphthalen-1-yl)-2-methylpropanamide
CID 163232939
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
5-nitropyridine-2-carbothioamide
CID 82668935

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine?
The IUPAC name of 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine (CID 100573604) is 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine.
What is the SMILES notation for 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine?
The canonical SMILES for 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine is N/C(=N\c1ccc([N+](=O)[O-])cn1)Nc1cccc2c(O)cccc12.
What is the InChIKey of 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine?
The InChIKey is KFUGZBGOELOFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c17-16(20-15-8-7-10(9-18-15)21(23)24)19-13-5-1-4-12-11(13)3-2-6-14(12)22/h1-9,22H,(H3,17,18,19,20).
What are the key properties of 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine?
1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine has a molecular weight of 323.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine is sourced from PubChem (CID 100573604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).