2-chloro-4-(methylamino)pyridine-3-carbaldehyde

C7H7ClN2O — CID 118240755

IUPAC2-chloro-4-(methylamino)pyridine-3-carbaldehyde
SMILESCNc1ccnc(Cl)c1C=O
InChIInChI=1S/C7H7ClN2O/c1-9-6-2-3-10-7(8)5(6)4-11/h2-4H,1H3,(H,9,10)
InChIKeyHVFYLQVJMKAMKF-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.59
Rot. Bonds2

About 2-chloro-4-(methylamino)pyridine-3-carbaldehyde

2-chloro-4-(methylamino)pyridine-3-carbaldehyde (PubChem CID 118240755) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 2-chloro-4-(methylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(methylamino)pyridine-3-carbaldehyde
PubChem CID118240755
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name2-chloro-4-(methylamino)pyridine-3-carbaldehyde
SMILESCNc1ccnc(Cl)c1C=O
InChIInChI=1S/C7H7ClN2O/c1-9-6-2-3-10-7(8)5(6)4-11/h2-4H,1H3,(H,9,10)
InChIKeyHVFYLQVJMKAMKF-UHFFFAOYSA-N
XLogP1.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.59
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

methyl 2-chloro-4-(methylamino)pyridine-3-carboxylate
CID 87532805
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634
2-chloro-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 119012940
2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde
CID 86223770
3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal
CID 145188479
2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
CID 164894115
2-chloro-3-ethenyl-4-fluoropyridine
CID 74891735
N-[2-chloro-3-[ethyl(methyl)amino]-4-pyridinyl]formamide;ethane
CID 164902575
2-chloro-N,4-dimethylpyridine-3-sulfonamide
CID 130548882
methyl 3-(2,3-dichloro-4-pyridinyl)prop-2-enoate
CID 169479779
N-(3-formyl-2-methyl-4-pyridinyl)-2,2-dimethylpropanamide
CID 118192456
2,4,5-trichloropyridine-3-carbaldehyde
CID 134453137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methylamino)pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-4-(methylamino)pyridine-3-carbaldehyde (CID 118240755) is 2-chloro-4-(methylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(methylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-4-(methylamino)pyridine-3-carbaldehyde is CNc1ccnc(Cl)c1C=O.
What is the InChIKey of 2-chloro-4-(methylamino)pyridine-3-carbaldehyde?
The InChIKey is HVFYLQVJMKAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-9-6-2-3-10-7(8)5(6)4-11/h2-4H,1H3,(H,9,10).
What are the key properties of 2-chloro-4-(methylamino)pyridine-3-carbaldehyde?
2-chloro-4-(methylamino)pyridine-3-carbaldehyde has a molecular weight of 170.60 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 118240755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).