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

C12H9Cl2FN2O — CID 66669863

IUPAC5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine
SMILESCOc1c(Cl)ccc(-c2cc(N)c(Cl)cn2)c1F
InChIInChI=1S/C12H9Cl2FN2O/c1-18-12-7(13)3-2-6(11(12)15)10-4-9(16)8(14)5-17-10/h2-5H,1H3,(H2,16,17)
InChIKeyUSOVFINUXDXCLU-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.79
Rot. Bonds2

About 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine

5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine (PubChem CID 66669863) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine
PubChem CID66669863
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine
SMILESCOc1c(Cl)ccc(-c2cc(N)c(Cl)cn2)c1F
InChIInChI=1S/C12H9Cl2FN2O/c1-18-12-7(13)3-2-6(11(12)15)10-4-9(16)8(14)5-17-10/h2-5H,1H3,(H2,16,17)
InChIKeyUSOVFINUXDXCLU-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Chloranyl-3-methoxy-phenyl)pyridin-2-amine
CID 104877339
US9676701, 42 (trans)-2-(6-(3-chloro-5-methoxyphenyl)pyridin-3-yl)cyclopropanamine hydrochloride
CID 56653678
US9676701, 43 (trans)-2-(6-(2-chloro-5-methoxyphenyl)pyridin-3-yl)cyclopropanamine hydrochloride
CID 56653679
4,7-Dichloro-6-methoxyquinoline
CID 23156598
N-[3-(3-chloro-4-methoxyphenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
CID 166634351
N'-(7-chloroquinolin-4-yl)-N-[(2-fluoro-5-methoxyphenyl)methyl]propane-1,3-diamine
CID 162444616
2-(2-Chloro-5-methoxyphenyl)pyridine
CID 101906393
(2-Chloro-6-fluoro-3-methoxybenzyl)methyl(1-pyridin-4-ylethyl)amine
CID 50970717
3-Trifluoromethyl-4,7-dichloro-6-methoxyquinoine
CID 622011
2-(4-Chloro-2-fluoro-5-methoxyphenyl)-3-chloro-5-trifluoromethylpyridine
CID 11002295
[5-Chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-3-pyridinyl] methanesulfonate
CID 11337529
3-Chloro-2-(4-chloro-2-fluoro-5-propargyloxyphenyl)-5-trifluoromethylpyridine
CID 11451352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine?
The IUPAC name of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine (CID 66669863) is 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine.
What is the SMILES notation for 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine?
The canonical SMILES for 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine is COc1c(Cl)ccc(-c2cc(N)c(Cl)cn2)c1F.
What is the InChIKey of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine?
The InChIKey is USOVFINUXDXCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-18-12-7(13)3-2-6(11(12)15)10-4-9(16)8(14)5-17-10/h2-5H,1H3,(H2,16,17).
What are the key properties of 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine?
5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine has a molecular weight of 287.12 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyridin-4-amine is sourced from PubChem (CID 66669863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).