4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal

C11H17ClN2O — CID 153392299

IUPAC4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.CNc1cc(Cl)ccn1
InChIInChI=1S/C6H7ClN2.C5H10O/c1-8-6-4-5(7)2-3-9-6;1-5(2,3)4-6/h2-4H,1H3,(H,8,9);4H,1-3H3
InChIKeyRZCJQNJDUSYXRQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.01
Rot. Bonds1

About 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal

4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal (PubChem CID 153392299) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal.

Molecular Properties

Compound Name4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal
PubChem CID153392299
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.CNc1cc(Cl)ccn1
InChIInChI=1S/C6H7ClN2.C5H10O/c1-8-6-4-5(7)2-3-9-6;1-5(2,3)4-6/h2-4H,1H3,(H,8,9);4H,1-3H3
InChIKeyRZCJQNJDUSYXRQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.01
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

4-chloro-N-(methylsulfamoyl)pyridin-2-amine
CID 114813660
N-(4-chloro-2-pyridinyl)sulfamoyl chloride
CID 84760693
1-(4-tert-butylphenyl)-3-(4-chloro-2-pyridinyl)urea
CID 108884932
3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
CID 114052264
4-ethenyl-N-methylpyridin-2-amine
CID 74890315
N-(4-chloro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968525
(4-chloro-2-pyridinyl)hydrazine;hydrochloride
CID 134830338
tert-butyl N-(4-chloro-2-pyridinyl)carbamate;ethyl formate
CID 161046296
1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol
CID 169237449
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal?
The IUPAC name of 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal (CID 153392299) is 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal.
What is the SMILES notation for 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal?
The canonical SMILES for 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal is CC(C)(C)C=O.CNc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal?
The InChIKey is RZCJQNJDUSYXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.C5H10O/c1-8-6-4-5(7)2-3-9-6;1-5(2,3)4-6/h2-4H,1H3,(H,8,9);4H,1-3H3.
What are the key properties of 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal?
4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal has a molecular weight of 228.72 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylpyridin-2-amine;2,2-dimethylpropanal is sourced from PubChem (CID 153392299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).