[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid

C16H11N3O5 — CID 70881346

IUPAC[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1
InChIInChI=1S/C16H11N3O5/c20-16(21)18-15-9-10(7-8-17-15)24-14-6-5-13(19(22)23)11-3-1-2-4-12(11)14/h1-9H,(H,17,18)(H,20,21)
InChIKeyBGTCOXZHNRFQNL-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.03
Rot. Bonds4

About [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid

[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid (PubChem CID 70881346) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
PubChem CID70881346
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1
InChIInChI=1S/C16H11N3O5/c20-16(21)18-15-9-10(7-8-17-15)24-14-6-5-13(19(22)23)11-3-1-2-4-12(11)14/h1-9H,(H,17,18)(H,20,21)
InChIKeyBGTCOXZHNRFQNL-UHFFFAOYSA-N
XLogP4.03
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-cyclopropyl-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]urea
CID 67451632
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamate
CID 67451903
[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid
CID 91273093
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one
CID 157261664
prop-1-en-2-yl N-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]-N-prop-1-en-2-yloxycarbonylcarbamate
CID 67451623
[2-[[4-(2,3-dichloro-4-nitrophenoxy)-2-pyridinyl]amino]-2-oxoethyl]-methylcarbamic acid
CID 121317007
2,3-bis[(4-nitronaphthalen-1-yl)oxy]anthracene
CID 170552339
(2S)-2-(4-nitronaphthalen-1-yl)oxypropanoic acid
CID 98580976
5-naphthalen-2-yloxy-8-nitroisoquinoline
CID 32678041
tert-butyl N-[4-[(2-methyl-6-nitro-3-pyridinyl)oxy]-2-pyridinyl]carbamate
CID 131735225
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863

Frequently Asked Questions

What is the IUPAC name of [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid?
The IUPAC name of [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid (CID 70881346) is [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid is O=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1.
What is the InChIKey of [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid?
The InChIKey is BGTCOXZHNRFQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-16(21)18-15-9-10(7-8-17-15)24-14-6-5-13(19(22)23)11-3-1-2-4-12(11)14/h1-9H,(H,17,18)(H,20,21).
What are the key properties of [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid?
[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid has a molecular weight of 325.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]carbamic acid is sourced from PubChem (CID 70881346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).