2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine

C14H14ClF2N3O — CID 83072874

IUPAC2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2c(F)cc(F)cc2Cl)ccc1N
InChIInChI=1S/C14H14ClF2N3O/c1-2-5-21-14-11(18)3-4-12(20-14)19-13-9(15)6-8(16)7-10(13)17/h3-4,6-7H,2,5,18H2,1H3,(H,19,20)
InChIKeyFJDINTADSZLSAC-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.13
Rot. Bonds5

About 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine

2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine (PubChem CID 83072874) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
PubChem CID83072874
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
SMILESCCCOc1nc(Nc2c(F)cc(F)cc2Cl)ccc1N
InChIInChI=1S/C14H14ClF2N3O/c1-2-5-21-14-11(18)3-4-12(20-14)19-13-9(15)6-8(16)7-10(13)17/h3-4,6-7H,2,5,18H2,1H3,(H,19,20)
InChIKeyFJDINTADSZLSAC-UHFFFAOYSA-N
XLogP4.13
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-bromo-2,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 65467537
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
2-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
4-N-(2,6-dichloro-4-fluorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 83078014
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 83088172
4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 83082816
2-N-(2,4-dibromophenyl)-6-propoxypyridine-2,5-diamine
CID 63402975
6-N-(2-chloro-4,6-difluorophenyl)-3-nitropyridine-2,6-diamine
CID 83083529
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine (CID 83072874) is 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine is CCCOc1nc(Nc2c(F)cc(F)cc2Cl)ccc1N.
What is the InChIKey of 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is FJDINTADSZLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c1-2-5-21-14-11(18)3-4-12(20-14)19-13-9(15)6-8(16)7-10(13)17/h3-4,6-7H,2,5,18H2,1H3,(H,19,20).
What are the key properties of 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine?
2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 313.74 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 83072874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).