[4-(difluoromethoxy)-2-pyridinyl]methanamine

C7H8F2N2O — CID 130046959

IUPAC[4-(difluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OC(F)F)ccn1
InChIInChI=1S/C7H8F2N2O/c8-7(9)12-6-1-2-11-5(3-6)4-10/h1-3,7H,4,10H2
InChIKeyKTVKTRDXKTXJRH-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.14
Rot. Bonds3

About [4-(difluoromethoxy)-2-pyridinyl]methanamine

[4-(difluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 130046959) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is [4-(difluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)-2-pyridinyl]methanamine
PubChem CID130046959
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name[4-(difluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(OC(F)F)ccn1
InChIInChI=1S/C7H8F2N2O/c8-7(9)12-6-1-2-11-5(3-6)4-10/h1-3,7H,4,10H2
InChIKeyKTVKTRDXKTXJRH-UHFFFAOYSA-N
XLogP1.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
CID 62292280
[4-(2-methoxyethoxy)-2-pyridinyl]methanamine
CID 62292533
[4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanamine
CID 70982353
[4-(cyclopropylmethoxy)-2-pyridinyl]methanamine
CID 62291672
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
[4-(3-bromophenoxy)-2-pyridinyl]methanamine
CID 62322517
[4-(4-ethylphenoxy)-2-pyridinyl]methanamine
CID 62295885
4-(difluoromethoxy)-2-(1H-pyrazol-5-yl)pyridine
CID 146279888
[4-(cyclohexylmethoxy)-2-pyridinyl]methanamine
CID 62385639
[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethoxy)-2-pyridinyl]methanamine (CID 130046959) is [4-(difluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethoxy)-2-pyridinyl]methanamine is NCc1cc(OC(F)F)ccn1.
What is the InChIKey of [4-(difluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is KTVKTRDXKTXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)12-6-1-2-11-5(3-6)4-10/h1-3,7H,4,10H2.
What are the key properties of [4-(difluoromethoxy)-2-pyridinyl]methanamine?
[4-(difluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 174.15 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 130046959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).