(2-chloro-4-phenyl-3-pyridinyl)methanamine

C12H11ClN2 — CID 82675762

IUPAC(2-chloro-4-phenyl-3-pyridinyl)methanamine
SMILESNCc1c(-c2ccccc2)ccnc1Cl
InChIInChI=1S/C12H11ClN2/c13-12-11(8-14)10(6-7-15-12)9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyITHXHKWLCTWKME-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.86
Rot. Bonds2

About (2-chloro-4-phenyl-3-pyridinyl)methanamine

(2-chloro-4-phenyl-3-pyridinyl)methanamine (PubChem CID 82675762) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is (2-chloro-4-phenyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-phenyl-3-pyridinyl)methanamine
PubChem CID82675762
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name(2-chloro-4-phenyl-3-pyridinyl)methanamine
SMILESNCc1c(-c2ccccc2)ccnc1Cl
InChIInChI=1S/C12H11ClN2/c13-12-11(8-14)10(6-7-15-12)9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKeyITHXHKWLCTWKME-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

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-phenyl-3-pyridinyl)acetonitrile
CID 118991527
(2,6-diphenylphenyl)methanamine
CID 72713892
3-(chloromethyl)-2-fluoro-4-phenylpyridine
CID 131521071
2-chloro-4-phenyl-3-pyridin-2-ylpyridine
CID 174953397
[6-phenyl-2,3-di(quinolin-4-yl)phenyl]methanamine
CID 57121415
(2-fluoro-4-phenyl-3-pyridinyl)methanol
CID 133094908
[2-chloro-4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methanamine
CID 88879811
[4-(3-methyl-4-phenyl-2-pyridinyl)phenyl]methanamine
CID 135146926
(2-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571505
benzyl 2-[2-(2-chloro-4-phenyl-3-pyridinyl)acetyl]pyrrolidine-1-carboxylate
CID 58208757
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008
(4-chloro-2-phenyl-3-pyridinyl)methanol
CID 131319746

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-phenyl-3-pyridinyl)methanamine?
The IUPAC name of (2-chloro-4-phenyl-3-pyridinyl)methanamine (CID 82675762) is (2-chloro-4-phenyl-3-pyridinyl)methanamine.
What is the SMILES notation for (2-chloro-4-phenyl-3-pyridinyl)methanamine?
The canonical SMILES for (2-chloro-4-phenyl-3-pyridinyl)methanamine is NCc1c(-c2ccccc2)ccnc1Cl.
What is the InChIKey of (2-chloro-4-phenyl-3-pyridinyl)methanamine?
The InChIKey is ITHXHKWLCTWKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-12-11(8-14)10(6-7-15-12)9-4-2-1-3-5-9/h1-7H,8,14H2.
What are the key properties of (2-chloro-4-phenyl-3-pyridinyl)methanamine?
(2-chloro-4-phenyl-3-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 (2-chloro-4-phenyl-3-pyridinyl)methanamine is sourced from PubChem (CID 82675762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).