4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde

C7H6Cl2N2O — CID 169147445

IUPAC4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde
SMILESCNc1c(Cl)cc(Cl)nc1C=O
InChIInChI=1S/C7H6Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2-3,10H,1H3
InChIKeySFPVWQDPEPEZSV-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.24
Rot. Bonds2

About 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde

4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde (PubChem CID 169147445) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde
PubChem CID169147445
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde
SMILESCNc1c(Cl)cc(Cl)nc1C=O
InChIInChI=1S/C7H6Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2-3,10H,1H3
InChIKeySFPVWQDPEPEZSV-UHFFFAOYSA-N
XLogP2.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol
CID 169147127
tert-butyl N-(6-chloro-2,4-diformyl-3-pyridinyl)carbamate
CID 134128965
3,6-dichloropyridine-2-carbaldehyde
CID 10821148
3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde
CID 146629095
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid
CID 122198422
4-chloro-3-N,6-dimethylpyridine-2,3-diamine
CID 145443788
3-bromo-6-chloropyridine-2-carbaldehyde
CID 71721004
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
4,6-dichloro-2-methylpyridin-3-ol;ethane
CID 142310785

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
The IUPAC name of 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde (CID 169147445) is 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
The canonical SMILES for 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde is CNc1c(Cl)cc(Cl)nc1C=O.
What is the InChIKey of 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
The InChIKey is SFPVWQDPEPEZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-10-7-4(8)2-6(9)11-5(7)3-12/h2-3,10H,1H3.
What are the key properties of 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde?
4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde has a molecular weight of 205.04 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-(methylamino)pyridine-2-carbaldehyde is sourced from PubChem (CID 169147445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).