2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine

C12H11ClFN3O — CID 54954761

IUPAC2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc(Cl)cc2F)ccc1N
InChIInChI=1S/C12H11ClFN3O/c1-18-12-9(15)3-5-11(17-12)16-10-4-2-7(13)6-8(10)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYPVVRDSSCLSYNW-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.21
Rot. Bonds3

About 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine

2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine (PubChem CID 54954761) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
PubChem CID54954761
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(Nc2ccc(Cl)cc2F)ccc1N
InChIInChI=1S/C12H11ClFN3O/c1-18-12-9(15)3-5-11(17-12)16-10-4-2-7(13)6-8(10)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYPVVRDSSCLSYNW-UHFFFAOYSA-N
XLogP3.21
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261717
2-N-(4-chloro-2-fluorophenyl)-6-(cyclopropylmethoxy)pyridine-2,5-diamine
CID 63402719
2-N-(3,5-dichlorophenyl)-6-methoxypyridine-2,5-diamine
CID 43261448
6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
CID 62808949
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methoxypyridine-2,5-diamine
CID 43261475
6-N-(4-chloro-2-fluorophenyl)pyridine-2,6-diamine
CID 80653049
2-N-(5-chloro-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43438422
2-(4-chloro-2-fluoroanilino)-7-methoxyquinolin-6-ol
CID 22646633
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
2-N-(2,4-dichlorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261371
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
2-N-(3,5-dimethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261435

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine (CID 54954761) is 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine is COc1nc(Nc2ccc(Cl)cc2F)ccc1N.
What is the InChIKey of 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine?
The InChIKey is YPVVRDSSCLSYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-18-12-9(15)3-5-11(17-12)16-10-4-2-7(13)6-8(10)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine?
2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine has a molecular weight of 267.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 54954761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).