[3-(3-chlorophenyl)-2-pyridinyl]methanamine

C12H11ClN2 — CID 82106044

IUPAC[3-(3-chlorophenyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1-c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2/c13-10-4-1-3-9(7-10)11-5-2-6-15-12(11)8-14/h1-7H,8,14H2
InChIKeyKXBFERIUJZSMLW-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.86
Rot. Bonds2

About [3-(3-chlorophenyl)-2-pyridinyl]methanamine

[3-(3-chlorophenyl)-2-pyridinyl]methanamine (PubChem CID 82106044) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-2-pyridinyl]methanamine
PubChem CID82106044
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name[3-(3-chlorophenyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1-c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2/c13-10-4-1-3-9(7-10)11-5-2-6-15-12(11)8-14/h1-7H,8,14H2
InChIKeyKXBFERIUJZSMLW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-pyridinyl]methanamine
CID 23068676
[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
2-(3-chlorophenyl)-3-pyridin-2-ylpyridine
CID 90094366
3-(3,5-dichlorophenyl)-2-ethylpyridine
CID 118357675
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
2-chloro-1,3-bis(3-chlorophenyl)benzene
CID 54080795
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
2-[2-(3-chlorophenyl)phenyl]ethanamine;hydrochloride
CID 164885899
8-(3-chlorophenyl)-6-methylquinoline
CID 19381187
8-(3-chlorophenyl)-6-(pyridin-2-ylmethyl)quinoline
CID 19381178
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine
CID 65208001

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(3-chlorophenyl)-2-pyridinyl]methanamine (CID 82106044) is [3-(3-chlorophenyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(3-chlorophenyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(3-chlorophenyl)-2-pyridinyl]methanamine is NCc1ncccc1-c1cccc(Cl)c1.
What is the InChIKey of [3-(3-chlorophenyl)-2-pyridinyl]methanamine?
The InChIKey is KXBFERIUJZSMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-10-4-1-3-9(7-10)11-5-2-6-15-12(11)8-14/h1-7H,8,14H2.
What are the key properties of [3-(3-chlorophenyl)-2-pyridinyl]methanamine?
[3-(3-chlorophenyl)-2-pyridinyl]methanamine has a molecular weight of 218.69 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 82106044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).