4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde

C20H14N3O+ — CID 123271573

IUPAC4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2c(-c3nc4cc[nH+]cc4[nH]3)cccc21
InChIInChI=1S/C20H13N3O/c24-11-16-12-4-1-2-5-13(12)19-14(16)6-3-7-15(19)20-22-17-8-9-21-10-18(17)23-20/h1-11,16H,(H,22,23)/p+1
InChIKeyXPNVFBFDUJHPQF-UHFFFAOYSA-O
MW312.35 g/mol
LogP3.36
Rot. Bonds2

About 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde

4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde (PubChem CID 123271573) has the molecular formula C20H14N3O+ and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde
PubChem CID123271573
Molecular FormulaC20H14N3O+
Molecular Weight312.35 g/mol
Exact Mass312.11
IUPAC Name4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2ccccc2-c2c(-c3nc4cc[nH+]cc4[nH]3)cccc21
InChIInChI=1S/C20H13N3O/c24-11-16-12-4-1-2-5-13(12)19-14(16)6-3-7-15(19)20-22-17-8-9-21-10-18(17)23-20/h1-11,16H,(H,22,23)/p+1
InChIKeyXPNVFBFDUJHPQF-UHFFFAOYSA-O
XLogP3.36
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluoren-9-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 123952912
4-(1H-imidazol-2-yl)-9H-fluorene-9-carbaldehyde
CID 174591530
N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine
CID 174548407
7H-benzo[c]fluorene-7-carbaldehyde
CID 175577015
9H-fluorene-9-carbaldehyde
CID 11074281
2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile
CID 67361069
2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid
CID 67359577
2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 68686481
(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
CID 67360207
(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
CID 67360972
N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]pyridazine-4-carboxamide
CID 72531299
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471

Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde?
The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde (CID 123271573) is 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde is O=CC1c2ccccc2-c2c(-c3nc4cc[nH+]cc4[nH]3)cccc21.
What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde?
The InChIKey is XPNVFBFDUJHPQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H13N3O/c24-11-16-12-4-1-2-5-13(12)19-14(16)6-3-7-15(19)20-22-17-8-9-21-10-18(17)23-20/h1-11,16H,(H,22,23)/p+1.
What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde?
4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde has a molecular weight of 312.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]pyridin-5-ium-2-yl)-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 123271573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).