N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine

C12H12ClN3 — CID 115748626

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NCc1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3/c1-9-11(3-2-6-14-9)15-7-10-4-5-12(13)16-8-10/h2-6,8,15H,7H2,1H3
InChIKeyGOZAHBDPSRRINL-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.05
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine

N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine (PubChem CID 115748626) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
PubChem CID115748626
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
SMILESCc1ncccc1NCc1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3/c1-9-11(3-2-6-14-9)15-7-10-4-5-12(13)16-8-10/h2-6,8,15H,7H2,1H3
InChIKeyGOZAHBDPSRRINL-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine (CID 115748626) is N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine is Cc1ncccc1NCc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine?
The InChIKey is GOZAHBDPSRRINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9-11(3-2-6-14-9)15-7-10-4-5-12(13)16-8-10/h2-6,8,15H,7H2,1H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine?
N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine has a molecular weight of 233.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine is sourced from PubChem (CID 115748626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).