1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde

C17H17NO — CID 11845488

IUPAC1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
SMILESCC1(C=O)c2ccccc2CCC1c1cccnc1
InChIInChI=1S/C17H17NO/c1-17(12-19)15-7-3-2-5-13(15)8-9-16(17)14-6-4-10-18-11-14/h2-7,10-12,16H,8-9H2,1H3
InChIKeyOXDKULXCOFPBAH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.27
Rot. Bonds2

About 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde

1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde (PubChem CID 11845488) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
PubChem CID11845488
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde
SMILESCC1(C=O)c2ccccc2CCC1c1cccnc1
InChIInChI=1S/C17H17NO/c1-17(12-19)15-7-3-2-5-13(15)8-9-16(17)14-6-4-10-18-11-14/h2-7,10-12,16H,8-9H2,1H3
InChIKeyOXDKULXCOFPBAH-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404885
4,4-dimethyl-3-pyridin-3-ylcyclohexan-1-one
CID 165497054
(2S)-1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 176872171
6-pyridin-3-yldiazinan-3-one
CID 20559353
1-methyl-2-pyridin-3-ylcyclopropane-1-carbonitrile
CID 116842082
N-(pyridin-3-ylmethyl)-1-[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanamine
CID 97055666
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
formamide;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175000566
N-(pyridin-3-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463380
1,1-dimethyl-5-pyridin-3-ylpyrrolidin-1-ium-2-one
CID 14767414
3-(2-methylcyclobutyl)pyridine
CID 174716389
3-pyridin-3-ylcyclopentan-1-one
CID 59265971

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The IUPAC name of 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde (CID 11845488) is 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde is CC1(C=O)c2ccccc2CCC1c1cccnc1.
What is the InChIKey of 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The InChIKey is OXDKULXCOFPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-17(12-19)15-7-3-2-5-13(15)8-9-16(17)14-6-4-10-18-11-14/h2-7,10-12,16H,8-9H2,1H3.
What are the key properties of 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde has a molecular weight of 251.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 11845488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).