3-(chloromethyl)-6-phenylpyridin-2-amine

C12H11ClN2 — CID 131322440

IUPAC3-(chloromethyl)-6-phenylpyridin-2-amine
SMILESNc1nc(-c2ccccc2)ccc1CCl
InChIInChI=1S/C12H11ClN2/c13-8-10-6-7-11(15-12(10)14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyNLBPMHLOYMYSJQ-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.07
Rot. Bonds2

About 3-(chloromethyl)-6-phenylpyridin-2-amine

3-(chloromethyl)-6-phenylpyridin-2-amine (PubChem CID 131322440) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 3-(chloromethyl)-6-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-(chloromethyl)-6-phenylpyridin-2-amine
PubChem CID131322440
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name3-(chloromethyl)-6-phenylpyridin-2-amine
SMILESNc1nc(-c2ccccc2)ccc1CCl
InChIInChI=1S/C12H11ClN2/c13-8-10-6-7-11(15-12(10)14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyNLBPMHLOYMYSJQ-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(chloromethyl)-6-phenylpyridine
CID 18916594
6-(chloromethyl)-3-phenylpyridin-2-amine
CID 119015084
6-phenyl-1,3-azaborinin-2-amine
CID 91097985
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
2-(chloromethyl)-6-phenylpyrazine
CID 177237498
2-(chloromethyl)-4-phenyl-1,3-oxazole
CID 15133748
2-phenylquinolin-8-amine
CID 19955861
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
CID 161306224
2-chloro-3,6-diphenylpyridine
CID 165358662
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 82452414
[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone
CID 12782045

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-phenylpyridin-2-amine?
The IUPAC name of 3-(chloromethyl)-6-phenylpyridin-2-amine (CID 131322440) is 3-(chloromethyl)-6-phenylpyridin-2-amine.
What is the SMILES notation for 3-(chloromethyl)-6-phenylpyridin-2-amine?
The canonical SMILES for 3-(chloromethyl)-6-phenylpyridin-2-amine is Nc1nc(-c2ccccc2)ccc1CCl.
What is the InChIKey of 3-(chloromethyl)-6-phenylpyridin-2-amine?
The InChIKey is NLBPMHLOYMYSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-8-10-6-7-11(15-12(10)14)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 3-(chloromethyl)-6-phenylpyridin-2-amine?
3-(chloromethyl)-6-phenylpyridin-2-amine has a molecular weight of 218.69 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-phenylpyridin-2-amine is sourced from PubChem (CID 131322440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).