[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine

C8H9ClF2N2O — CID 130073716

IUPAC[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
SMILESCOc1ncc(CN)c(Cl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-14-8-5(7(10)11)6(9)4(2-12)3-13-8/h3,7H,2,12H2,1H3
InChIKeyGPURXNORWWZXBX-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.14
Rot. Bonds3

About [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine

[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine (PubChem CID 130073716) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
PubChem CID130073716
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
SMILESCOc1ncc(CN)c(Cl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2O/c1-14-8-5(7(10)11)6(9)4(2-12)3-13-8/h3,7H,2,12H2,1H3
InChIKeyGPURXNORWWZXBX-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068718
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130071589
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]methanamine
CID 130073730

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
The IUPAC name of [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine (CID 130073716) is [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine.
What is the SMILES notation for [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
The canonical SMILES for [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine is COc1ncc(CN)c(Cl)c1C(F)F.
What is the InChIKey of [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
The InChIKey is GPURXNORWWZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-14-8-5(7(10)11)6(9)4(2-12)3-13-8/h3,7H,2,12H2,1H3.
What are the key properties of [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine?
[4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine has a molecular weight of 222.62 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 130073716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).