5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde

C12H9NO2S — CID 82390604

IUPAC5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1cccnc1
InChIInChI=1S/C12H9NO2S/c1-8-11(5-10(7-14)16-8)12(15)9-3-2-4-13-6-9/h2-7H,1H3
InChIKeyUECOVRHHWRDNEE-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.50
Rot. Bonds3

About 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde

5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde (PubChem CID 82390604) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde
PubChem CID82390604
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde
SMILESCc1sc(C=O)cc1C(=O)c1cccnc1
InChIInChI=1S/C12H9NO2S/c1-8-11(5-10(7-14)16-8)12(15)9-3-2-4-13-6-9/h2-7H,1H3
InChIKeyUECOVRHHWRDNEE-UHFFFAOYSA-N
XLogP2.50
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylpyridine-3-carboxamide chloride
CID 20976730
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
[5-methyl-2-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622258
(2,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanone
CID 105081218
(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde (CID 82390604) is 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde is Cc1sc(C=O)cc1C(=O)c1cccnc1.
What is the InChIKey of 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde?
The InChIKey is UECOVRHHWRDNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c1-8-11(5-10(7-14)16-8)12(15)9-3-2-4-13-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde?
5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde has a molecular weight of 231.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pyridine-3-carbonyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 82390604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).