2-chloro-5-(3-methoxyphenyl)pyridin-3-amine

C12H11ClN2O — CID 105495489

IUPAC2-chloro-5-(3-methoxyphenyl)pyridin-3-amine
SMILESCOc1cccc(-c2cnc(Cl)c(N)c2)c1
InChIInChI=1S/C12H11ClN2O/c1-16-10-4-2-3-8(5-10)9-6-11(14)12(13)15-7-9/h2-7H,14H2,1H3
InChIKeyDJQLZUGBTFKXRS-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.99
Rot. Bonds2

About 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine

2-chloro-5-(3-methoxyphenyl)pyridin-3-amine (PubChem CID 105495489) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-(3-methoxyphenyl)pyridin-3-amine
PubChem CID105495489
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-5-(3-methoxyphenyl)pyridin-3-amine
SMILESCOc1cccc(-c2cnc(Cl)c(N)c2)c1
InChIInChI=1S/C12H11ClN2O/c1-16-10-4-2-3-8(5-10)9-6-11(14)12(13)15-7-9/h2-7H,14H2,1H3
InChIKeyDJQLZUGBTFKXRS-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 42281401
3-chloro-5-(3-methoxyphenyl)pyridine
CID 173285153
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
2,3-difluoro-5-(3-methoxyphenyl)aniline
CID 165495342
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
5-(3-methoxyphenyl)pyridine-3,4-diamine
CID 126520592
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
5-(4-chlorophenyl)-2-methoxypyridin-3-amine
CID 105495486
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine (CID 105495489) is 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine is COc1cccc(-c2cnc(Cl)c(N)c2)c1.
What is the InChIKey of 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine?
The InChIKey is DJQLZUGBTFKXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-10-4-2-3-8(5-10)9-6-11(14)12(13)15-7-9/h2-7H,14H2,1H3.
What are the key properties of 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine?
2-chloro-5-(3-methoxyphenyl)pyridin-3-amine has a molecular weight of 234.69 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 105495489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).