4-(4-nitrophenoxy)-3-prop-1-ynylpyridine

C14H10N2O3 — CID 59853032

IUPAC4-(4-nitrophenoxy)-3-prop-1-ynylpyridine
SMILESCC#Cc1cnccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O3/c1-2-3-11-10-15-9-8-14(11)19-13-6-4-12(5-7-13)16(17)18/h4-10H,1H3
InChIKeyNWGCKKZVYUGEMT-UHFFFAOYSA-N
MW254.24 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine

4-(4-nitrophenoxy)-3-prop-1-ynylpyridine (PubChem CID 59853032) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine.

Molecular Properties

Compound Name4-(4-nitrophenoxy)-3-prop-1-ynylpyridine
PubChem CID59853032
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name4-(4-nitrophenoxy)-3-prop-1-ynylpyridine
SMILESCC#Cc1cnccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O3/c1-2-3-11-10-15-9-8-14(11)19-13-6-4-12(5-7-13)16(17)18/h4-10H,1H3
InChIKeyNWGCKKZVYUGEMT-UHFFFAOYSA-N
XLogP3.15
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-iodo-4-(4-nitrophenoxy)pyridine
CID 91494066
tert-butyl (E)-3-[4-(4-nitrophenoxy)-3-pyridinyl]prop-2-enoate
CID 59853007
5-methyl-4-(4-nitrophenoxy)-1H-pyrazole
CID 90298593
4-nitropyridine;hydrate
CID 132647818
4-(4-nitrophenoxy)pyrrolo[1,2-b]pyridazine
CID 58190627
5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one
CID 22936880
2-methyl-4-(4-nitrophenoxy)furo[2,3-b]pyridine
CID 58272180
3-(4-chlorophenoxy)-4-nitropyridine
CID 21106908
5-(4-nitrophenoxy)pyridine-2-carbonitrile
CID 115487944
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine?
The IUPAC name of 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine (CID 59853032) is 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine.
What is the SMILES notation for 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine?
The canonical SMILES for 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine is CC#Cc1cnccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine?
The InChIKey is NWGCKKZVYUGEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-2-3-11-10-15-9-8-14(11)19-13-6-4-12(5-7-13)16(17)18/h4-10H,1H3.
What are the key properties of 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine?
4-(4-nitrophenoxy)-3-prop-1-ynylpyridine has a molecular weight of 254.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)-3-prop-1-ynylpyridine is sourced from PubChem (CID 59853032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).