6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde

C15H14ClFN2O — CID 142877811

IUPAC6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1cc(Nc2ccc(F)c(Cl)c2)ncc1C=O
InChIInChI=1S/C15H14ClFN2O/c1-9(2)12-6-15(18-7-10(12)8-20)19-11-3-4-14(17)13(16)5-11/h3-9H,1-2H3,(H,18,19)
InChIKeySBJSHFSPFAEYJZ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.55
Rot. Bonds4

About 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde

6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 142877811) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde
PubChem CID142877811
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1cc(Nc2ccc(F)c(Cl)c2)ncc1C=O
InChIInChI=1S/C15H14ClFN2O/c1-9(2)12-6-15(18-7-10(12)8-20)19-11-3-4-14(17)13(16)5-11/h3-9H,1-2H3,(H,18,19)
InChIKeySBJSHFSPFAEYJZ-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine
CID 11418482
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
1-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865974
1-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865975
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
2-chloro-N-[3-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 42602539
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754783
5-bromo-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyridin-2-amine
CID 59353190
2-(3-chloro-4-fluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268147

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde (CID 142877811) is 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde is CC(C)c1cc(Nc2ccc(F)c(Cl)c2)ncc1C=O.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is SBJSHFSPFAEYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9(2)12-6-15(18-7-10(12)8-20)19-11-3-4-14(17)13(16)5-11/h3-9H,1-2H3,(H,18,19).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde?
6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 292.74 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-4-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 142877811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).