4-ethenyl-3-nitro-2-phenylmethoxypyridine

C14H12N2O3 — CID 170324419

IUPAC4-ethenyl-3-nitro-2-phenylmethoxypyridine
SMILESC=Cc1ccnc(OCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3/c1-2-12-8-9-15-14(13(12)16(17)18)19-10-11-6-4-3-5-7-11/h2-9H,1,10H2
InChIKeyDMODYQYTMVPFPF-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.21
Rot. Bonds5

About 4-ethenyl-3-nitro-2-phenylmethoxypyridine

4-ethenyl-3-nitro-2-phenylmethoxypyridine (PubChem CID 170324419) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-ethenyl-3-nitro-2-phenylmethoxypyridine.

Molecular Properties

Compound Name4-ethenyl-3-nitro-2-phenylmethoxypyridine
PubChem CID170324419
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-ethenyl-3-nitro-2-phenylmethoxypyridine
SMILESC=Cc1ccnc(OCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3/c1-2-12-8-9-15-14(13(12)16(17)18)19-10-11-6-4-3-5-7-11/h2-9H,1,10H2
InChIKeyDMODYQYTMVPFPF-UHFFFAOYSA-N
XLogP3.21
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.21
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'}

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Related Compounds

4-ethenyl-2-methyl-3-nitropyridine
CID 74889105
6-ethenyl-2-nitro-3-phenylmethoxypyridine
CID 69479018
5-nitro-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80844165
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
1-iodo-2-nitro-3-phenylmethoxybenzene
CID 134860579
6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
CID 140911567
1-ethenyl-2-nitro-3-(2-phenylethenoxymethyl)benzene
CID 70595134
1,3-difluoro-5-nitro-2,4,6-tris(phenylmethoxy)benzene
CID 10743231
4-methoxy-5-nitro-6-(3-phenylmethoxyphenoxy)pyrimidine
CID 146290818
4-ethylsulfonyl-5-nitro-2,6-bis(phenylmethoxy)pyrimidine
CID 14992221
5-nitro-6-phenylmethoxypyridine-2-carboxylic acid
CID 22565263
5-chloro-2-(2-nitro-3-phenylmethoxyphenyl)sulfanylpyrimidine
CID 163275960

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-nitro-2-phenylmethoxypyridine?
The IUPAC name of 4-ethenyl-3-nitro-2-phenylmethoxypyridine (CID 170324419) is 4-ethenyl-3-nitro-2-phenylmethoxypyridine.
What is the SMILES notation for 4-ethenyl-3-nitro-2-phenylmethoxypyridine?
The canonical SMILES for 4-ethenyl-3-nitro-2-phenylmethoxypyridine is C=Cc1ccnc(OCc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 4-ethenyl-3-nitro-2-phenylmethoxypyridine?
The InChIKey is DMODYQYTMVPFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-12-8-9-15-14(13(12)16(17)18)19-10-11-6-4-3-5-7-11/h2-9H,1,10H2.
What are the key properties of 4-ethenyl-3-nitro-2-phenylmethoxypyridine?
4-ethenyl-3-nitro-2-phenylmethoxypyridine has a molecular weight of 256.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-nitro-2-phenylmethoxypyridine is sourced from PubChem (CID 170324419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).