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

C12H11ClN2 — CID 119015084

IUPAC6-(chloromethyl)-3-phenylpyridin-2-amine
SMILESNc1nc(CCl)ccc1-c1ccccc1
InChIInChI=1S/C12H11ClN2/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyYZCRPFROYVOQAK-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.07
Rot. Bonds2

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

6-(chloromethyl)-3-phenylpyridin-2-amine (PubChem CID 119015084) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 6-(chloromethyl)-3-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-3-phenylpyridin-2-amine
PubChem CID119015084
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name6-(chloromethyl)-3-phenylpyridin-2-amine
SMILESNc1nc(CCl)ccc1-c1ccccc1
InChIInChI=1S/C12H11ClN2/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyYZCRPFROYVOQAK-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-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
2-(chloromethyl)-4-phenylquinoline
CID 70386210
3-(6-amino-5-phenyl-2-pyridinyl)-1-piperidin-1-ylpropan-1-one
CID 59152269
6-nitro-3-phenylpyridin-2-amine
CID 119007149
5-(chloromethyl)-2-phenylaniline
CID 89208885
3-(chloromethyl)-6-phenylpyridin-2-amine
CID 131322440
3,6-bis(chloromethyl)-4-phenylpyridazine
CID 71493199
6-(chloromethyl)-2,3-dipyridin-3-ylpyridine
CID 131870624
5-chloro-2-(chloromethyl)-4-phenylpyridine
CID 131531903
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
2-ethyl-5-phenylpyrimidin-4-amine
CID 62900948
2-(chloromethyl)-4-fluoro-5-phenylpyridine
CID 131521075

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-phenylpyridin-2-amine?
The IUPAC name of 6-(chloromethyl)-3-phenylpyridin-2-amine (CID 119015084) is 6-(chloromethyl)-3-phenylpyridin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-3-phenylpyridin-2-amine?
The canonical SMILES for 6-(chloromethyl)-3-phenylpyridin-2-amine is Nc1nc(CCl)ccc1-c1ccccc1.
What is the InChIKey of 6-(chloromethyl)-3-phenylpyridin-2-amine?
The InChIKey is YZCRPFROYVOQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 6-(chloromethyl)-3-phenylpyridin-2-amine?
6-(chloromethyl)-3-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 6-(chloromethyl)-3-phenylpyridin-2-amine is sourced from PubChem (CID 119015084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).