[4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid

C14H12N2O4 — CID 90357565

IUPAC[4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid
SMILESCOc1cc(NC(=O)O)ccc1-c1ccncc1C=O
InChIInChI=1S/C14H12N2O4/c1-20-13-6-10(16-14(18)19)2-3-12(13)11-4-5-15-7-9(11)8-17/h2-8,16H,1H3,(H,18,19)
InChIKeyFSNVIHKLHDUQKX-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.66
Rot. Bonds4

About [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid

[4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid (PubChem CID 90357565) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid.

Molecular Properties

Compound Name[4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid
PubChem CID90357565
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name[4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid
SMILESCOc1cc(NC(=O)O)ccc1-c1ccncc1C=O
InChIInChI=1S/C14H12N2O4/c1-20-13-6-10(16-14(18)19)2-3-12(13)11-4-5-15-7-9(11)8-17/h2-8,16H,1H3,(H,18,19)
InChIKeyFSNVIHKLHDUQKX-UHFFFAOYSA-N
XLogP2.66
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid?
The IUPAC name of [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid (CID 90357565) is [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid.
What is the SMILES notation for [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid?
The canonical SMILES for [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid is COc1cc(NC(=O)O)ccc1-c1ccncc1C=O.
What is the InChIKey of [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid?
The InChIKey is FSNVIHKLHDUQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-13-6-10(16-14(18)19)2-3-12(13)11-4-5-15-7-9(11)8-17/h2-8,16H,1H3,(H,18,19).
What are the key properties of [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid?
[4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid has a molecular weight of 272.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-formyl-4-pyridinyl)-3-methoxyphenyl]carbamic acid is sourced from PubChem (CID 90357565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).