4-(4-chloro-3-methoxyphenyl)pyridin-2-amine

C12H11ClN2O — CID 104877339

IUPAC4-(4-chloro-3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2ccnc(N)c2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15)
InChIKeyXNQXYTWAWZWTHH-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.99
Rot. Bonds2

About 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine

4-(4-chloro-3-methoxyphenyl)pyridin-2-amine (PubChem CID 104877339) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)pyridin-2-amine
PubChem CID104877339
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-(4-chloro-3-methoxyphenyl)pyridin-2-amine
SMILESCOc1cc(-c2ccnc(N)c2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15)
InChIKeyXNQXYTWAWZWTHH-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

2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
Thiourea, N-(2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl)-N'-(5-chloro-2-pyridinyl)-
CID 3001081
3-(4-Chloro-3-methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392562
N-{5-Chloro-3-[(E)-2-(4-methoxy-phenyl)-vinyl]-pyridin-2-yl}-guanidine
CID 44298507
5-(3-Chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 44531128
5-[3-(Benzyloxy)-4-chloro-2-fluorophenyl]pyrazin-2-amine
CID 90310741
N'-[(4-chlorobenzyl)oxy]-N-(3-cyano-4-methoxy-2-pyridinyl)iminoformamide
CID 4586303
3,5-dichloro-N-[(E)-1-(3-methoxyphenyl)ethylideneamino]pyridin-2-amine
CID 9684254
5-(2-methoxyphenyl)-N-methylpyridin-2-amine
CID 49789192
2-[5-(2-Methoxyphenyl)-2-pyridinyl]guanidine
CID 145949523
3-(4-Chlorophenyl)-5-(4-propan-2-yloxyphenyl)pyridin-2-amine
CID 162661285
[4-[2-(3-Methoxyphenyl)ethyl]-2-pyridinyl]urea
CID 69675877

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine (CID 104877339) is 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine is COc1cc(-c2ccnc(N)c2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
The InChIKey is XNQXYTWAWZWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15).
What are the key properties of 4-(4-chloro-3-methoxyphenyl)pyridin-2-amine?
4-(4-chloro-3-methoxyphenyl)pyridin-2-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-(4-chloro-3-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 104877339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).