6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde

C13H12N2O — CID 165490029

IUPAC6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(N)cc1-c1ccc(C=O)cn1
InChIInChI=1S/C13H12N2O/c1-9-2-4-11(14)6-12(9)13-5-3-10(8-16)7-15-13/h2-8H,14H2,1H3
InChIKeyZCMMNZLLLMIPJX-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.45
Rot. Bonds2

About 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde

6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde (PubChem CID 165490029) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde
PubChem CID165490029
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde
SMILESCc1ccc(N)cc1-c1ccc(C=O)cn1
InChIInChI=1S/C13H12N2O/c1-9-2-4-11(14)6-12(9)13-5-3-10(8-16)7-15-13/h2-8H,14H2,1H3
InChIKeyZCMMNZLLLMIPJX-UHFFFAOYSA-N
XLogP2.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde
CID 165490065
3-(5-fluoro-2-pyridinyl)-4-methylaniline
CID 169175841
5-(5-amino-2-methylphenyl)-1H-pyrazin-2-one
CID 165444919
6-(4-methyl-3-nitrophenyl)pyridine-3-carbaldehyde
CID 24730308
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651197
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
6-naphthalen-1-ylpyridine-3-carbaldehyde
CID 86720518
6-(2,3-dichlorophenyl)pyridine-3-carbaldehyde
CID 24730313
3-(2-chloro-5-methyl-4-pyridinyl)-4-methylaniline
CID 169024574
6-(4-iodophenyl)pyridine-3-carbaldehyde
CID 24729737
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde (CID 165490029) is 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde is Cc1ccc(N)cc1-c1ccc(C=O)cn1.
What is the InChIKey of 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde?
The InChIKey is ZCMMNZLLLMIPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-2-4-11(14)6-12(9)13-5-3-10(8-16)7-15-13/h2-8H,14H2,1H3.
What are the key properties of 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde?
6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 165490029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).