(6-chloro-3-pyridinyl)methanamine

C6H7ClN2 — CID 7020927

IUPAC(6-chloro-3-pyridinyl)methanamine
SMILESNCc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKeyXPARFBOWIYMLMY-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.19
Rot. Bonds1

About (6-chloro-3-pyridinyl)methanamine

(6-chloro-3-pyridinyl)methanamine (PubChem CID 7020927) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methanamine
PubChem CID7020927
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name(6-chloro-3-pyridinyl)methanamine
SMILESNCc1ccc(Cl)nc1
InChIInChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
InChIKeyXPARFBOWIYMLMY-UHFFFAOYSA-N
XLogP1.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methanamine?
The IUPAC name of (6-chloro-3-pyridinyl)methanamine (CID 7020927) is (6-chloro-3-pyridinyl)methanamine.
What is the SMILES notation for (6-chloro-3-pyridinyl)methanamine?
The canonical SMILES for (6-chloro-3-pyridinyl)methanamine is NCc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)methanamine?
The InChIKey is XPARFBOWIYMLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2.
What are the key properties of (6-chloro-3-pyridinyl)methanamine?
(6-chloro-3-pyridinyl)methanamine has a molecular weight of 142.59 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methanamine is sourced from PubChem (CID 7020927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).