2-chloro-N-phenylpyridin-4-amine

C11H9ClN2 — CID 11424268

IUPAC2-chloro-N-phenylpyridin-4-amine
SMILESClc1cc(Nc2ccccc2)ccn1
InChIInChI=1S/C11H9ClN2/c12-11-8-10(6-7-13-11)14-9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyFNEMOPULEWYPMQ-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.48
Rot. Bonds2

About 2-chloro-N-phenylpyridin-4-amine

2-chloro-N-phenylpyridin-4-amine (PubChem CID 11424268) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-N-phenylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-phenylpyridin-4-amine
PubChem CID11424268
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-chloro-N-phenylpyridin-4-amine
SMILESClc1cc(Nc2ccccc2)ccn1
InChIInChI=1S/C11H9ClN2/c12-11-8-10(6-7-13-11)14-9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyFNEMOPULEWYPMQ-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.48
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

4-Aminopyridine
CID 1727
Forchlorfenuron
CID 93379
2-Chloropyridine
CID 7977
2-Chloro-3-pyridylamine
CID 80528
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
3-Chloropyridin-4-amine
CID 581853
4-(2-Phenyldiazenyl)pyridine
CID 17385
1-(4-Pyridyl)piperazine
CID 70517
4-Amino-3,5-dichloropyridine
CID 89888
1-Phenyl-3-(4-pyridyl)urea
CID 4074688
N-Phenyl-2-pyridinemethanamine
CID 78027
N-(pyridin-3-ylmethyl)aniline
CID 1082702

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenylpyridin-4-amine?
The IUPAC name of 2-chloro-N-phenylpyridin-4-amine (CID 11424268) is 2-chloro-N-phenylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-phenylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-phenylpyridin-4-amine is Clc1cc(Nc2ccccc2)ccn1.
What is the InChIKey of 2-chloro-N-phenylpyridin-4-amine?
The InChIKey is FNEMOPULEWYPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c12-11-8-10(6-7-13-11)14-9-4-2-1-3-5-9/h1-8H,(H,13,14).
What are the key properties of 2-chloro-N-phenylpyridin-4-amine?
2-chloro-N-phenylpyridin-4-amine has a molecular weight of 204.66 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenylpyridin-4-amine is sourced from PubChem (CID 11424268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).