2-chloro-1H-pyridin-2-amine

C5H7ClN2 — CID 22245065

IUPAC2-chloro-1H-pyridin-2-amine
SMILESNC1(Cl)C=CC=CN1
InChIInChI=1S/C5H7ClN2/c6-5(7)3-1-2-4-8-5/h1-4,8H,7H2
InChIKeyIWJLGRUFXOYQPO-UHFFFAOYSA-N
MW130.58 g/mol
LogP0.51
Rot. Bonds

About 2-chloro-1H-pyridin-2-amine

2-chloro-1H-pyridin-2-amine (PubChem CID 22245065) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 2-chloro-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-chloro-1H-pyridin-2-amine
PubChem CID22245065
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name2-chloro-1H-pyridin-2-amine
SMILESNC1(Cl)C=CC=CN1
InChIInChI=1S/C5H7ClN2/c6-5(7)3-1-2-4-8-5/h1-4,8H,7H2
InChIKeyIWJLGRUFXOYQPO-UHFFFAOYSA-N
XLogP0.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1H-pyridin-2-amine?
The IUPAC name of 2-chloro-1H-pyridin-2-amine (CID 22245065) is 2-chloro-1H-pyridin-2-amine.
What is the SMILES notation for 2-chloro-1H-pyridin-2-amine?
The canonical SMILES for 2-chloro-1H-pyridin-2-amine is NC1(Cl)C=CC=CN1.
What is the InChIKey of 2-chloro-1H-pyridin-2-amine?
The InChIKey is IWJLGRUFXOYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c6-5(7)3-1-2-4-8-5/h1-4,8H,7H2.
What are the key properties of 2-chloro-1H-pyridin-2-amine?
2-chloro-1H-pyridin-2-amine has a molecular weight of 130.58 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-pyridin-2-amine is sourced from PubChem (CID 22245065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).