(2-chloro-5-pyridin-4-ylphenyl)methanamine

C12H11ClN2 — CID 67257195

IUPAC(2-chloro-5-pyridin-4-ylphenyl)methanamine
SMILESNCc1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C12H11ClN2/c13-12-2-1-10(7-11(12)8-14)9-3-5-15-6-4-9/h1-7H,8,14H2
InChIKeyHBWBPAUELDXFJR-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.86
Rot. Bonds2

About (2-chloro-5-pyridin-4-ylphenyl)methanamine

(2-chloro-5-pyridin-4-ylphenyl)methanamine (PubChem CID 67257195) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is (2-chloro-5-pyridin-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-pyridin-4-ylphenyl)methanamine
PubChem CID67257195
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name(2-chloro-5-pyridin-4-ylphenyl)methanamine
SMILESNCc1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C12H11ClN2/c13-12-2-1-10(7-11(12)8-14)9-3-5-15-6-4-9/h1-7H,8,14H2
InChIKeyHBWBPAUELDXFJR-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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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-pyridin-4-ylphenyl)methanamine?
The IUPAC name of (2-chloro-5-pyridin-4-ylphenyl)methanamine (CID 67257195) is (2-chloro-5-pyridin-4-ylphenyl)methanamine.
What is the SMILES notation for (2-chloro-5-pyridin-4-ylphenyl)methanamine?
The canonical SMILES for (2-chloro-5-pyridin-4-ylphenyl)methanamine is NCc1cc(-c2ccncc2)ccc1Cl.
What is the InChIKey of (2-chloro-5-pyridin-4-ylphenyl)methanamine?
The InChIKey is HBWBPAUELDXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-12-2-1-10(7-11(12)8-14)9-3-5-15-6-4-9/h1-7H,8,14H2.
What are the key properties of (2-chloro-5-pyridin-4-ylphenyl)methanamine?
(2-chloro-5-pyridin-4-ylphenyl)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-5-pyridin-4-ylphenyl)methanamine is sourced from PubChem (CID 67257195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).