2-chloro-N-methylpyridin-4-amine

C6H7ClN2 — CID 53416995

IUPAC2-chloro-N-methylpyridin-4-amine
SMILESCNc1ccnc(Cl)c1
InChIInChI=1S/C6H7ClN2/c1-8-5-2-3-9-6(7)4-5/h2-4H,1H3,(H,8,9)
InChIKeyDLCVZLIXJWBLJS-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.78
Rot. Bonds1

About 2-chloro-N-methylpyridin-4-amine

2-chloro-N-methylpyridin-4-amine (PubChem CID 53416995) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 2-chloro-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methylpyridin-4-amine
PubChem CID53416995
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name2-chloro-N-methylpyridin-4-amine
SMILESCNc1ccnc(Cl)c1
InChIInChI=1S/C6H7ClN2/c1-8-5-2-3-9-6(7)4-5/h2-4H,1H3,(H,8,9)
InChIKeyDLCVZLIXJWBLJS-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-N-methylpyridin-4-amine (CID 53416995) is 2-chloro-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-methylpyridin-4-amine is CNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methylpyridin-4-amine?
The InChIKey is DLCVZLIXJWBLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c1-8-5-2-3-9-6(7)4-5/h2-4H,1H3,(H,8,9).
What are the key properties of 2-chloro-N-methylpyridin-4-amine?
2-chloro-N-methylpyridin-4-amine has a molecular weight of 142.59 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylpyridin-4-amine is sourced from PubChem (CID 53416995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).