4-(3-chloro-4-methoxyphenyl)pyridin-3-amine

C12H11ClN2O — CID 83167143

IUPAC4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2ccncc2N)cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-12-3-2-8(6-10(12)13)9-4-5-15-7-11(9)14/h2-7H,14H2,1H3
InChIKeyVKAGWDJCNGARPA-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.99
Rot. Bonds2

About 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine

4-(3-chloro-4-methoxyphenyl)pyridin-3-amine (PubChem CID 83167143) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
PubChem CID83167143
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2ccncc2N)cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-12-3-2-8(6-10(12)13)9-4-5-15-7-11(9)14/h2-7H,14H2,1H3
InChIKeyVKAGWDJCNGARPA-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

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Related Compounds

4-(3-chloro-4-methylphenyl)pyridin-3-amine
CID 83166863
2-methoxy-5-(3-methyl-4-pyridinyl)aniline
CID 66278830
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
2-methoxy-5-(4-methyl-3-pyridinyl)aniline
CID 66272306
4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
(4-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
CID 65026706
4-(3-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
4-(3-chlorophenyl)pyridin-3-amine
CID 82396448
4-(6-methoxy-5-methyl-3-pyridinyl)pyridin-3-amine
CID 134339866
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine (CID 83167143) is 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine is COc1ccc(-c2ccncc2N)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine?
The InChIKey is VKAGWDJCNGARPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-12-3-2-8(6-10(12)13)9-4-5-15-7-11(9)14/h2-7H,14H2,1H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine?
4-(3-chloro-4-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 4-(3-chloro-4-methoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 83167143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).