4-chloro-3H-pyridin-4-amine

C5H7ClN2 — CID 67242974

IUPAC4-chloro-3H-pyridin-4-amine
SMILESNC1(Cl)C=CN=CC1
InChIInChI=1S/C5H7ClN2/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,7H2
InChIKeyCNTQTJLXLPHBIH-UHFFFAOYSA-N
MW130.58 g/mol
LogP0.87
Rot. Bonds

About 4-chloro-3H-pyridin-4-amine

4-chloro-3H-pyridin-4-amine (PubChem CID 67242974) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 4-chloro-3H-pyridin-4-amine.

Molecular Properties

Compound Name4-chloro-3H-pyridin-4-amine
PubChem CID67242974
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name4-chloro-3H-pyridin-4-amine
SMILESNC1(Cl)C=CN=CC1
InChIInChI=1S/C5H7ClN2/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,7H2
InChIKeyCNTQTJLXLPHBIH-UHFFFAOYSA-N
XLogP0.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 50.87
H-Bond Donors ≤ 51
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 4-chloro-3H-pyridin-4-amine?
The IUPAC name of 4-chloro-3H-pyridin-4-amine (CID 67242974) is 4-chloro-3H-pyridin-4-amine.
What is the SMILES notation for 4-chloro-3H-pyridin-4-amine?
The canonical SMILES for 4-chloro-3H-pyridin-4-amine is NC1(Cl)C=CN=CC1.
What is the InChIKey of 4-chloro-3H-pyridin-4-amine?
The InChIKey is CNTQTJLXLPHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2/c6-5(7)1-3-8-4-2-5/h1,3-4H,2,7H2.
What are the key properties of 4-chloro-3H-pyridin-4-amine?
4-chloro-3H-pyridin-4-amine has a molecular weight of 130.58 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3H-pyridin-4-amine is sourced from PubChem (CID 67242974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).