[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane

C7H8F2NP — CID 142110745

IUPAC[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane
SMILESCc1ncccc1C(F)(F)P
InChIInChI=1S/C7H8F2NP/c1-5-6(7(8,9)11)3-2-4-10-5/h2-4H,11H2,1H3
InChIKeyWMPXKPMTBTVRQH-UHFFFAOYSA-N
MW175.12 g/mol
LogP2.31
Rot. Bonds1

About [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane

[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane (PubChem CID 142110745) has the molecular formula C7H8F2NP and a molecular weight of 175.12 g/mol. Its IUPAC name is [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane.

Molecular Properties

Compound Name[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane
PubChem CID142110745
Molecular FormulaC7H8F2NP
Molecular Weight175.12 g/mol
Exact Mass175.04
IUPAC Name[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane
SMILESCc1ncccc1C(F)(F)P
InChIInChI=1S/C7H8F2NP/c1-5-6(7(8,9)11)3-2-4-10-5/h2-4H,11H2,1H3
InChIKeyWMPXKPMTBTVRQH-UHFFFAOYSA-N
XLogP2.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
1,1,1-trifluoro-2-(2-methyl-3-pyridinyl)propan-2-ol
CID 127017192
3-tert-butyl-2-methylpyridine;ethane
CID 90980079
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
2-bromo-3-methylpyridine;3-chloro-2-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine
CID 157346640
CID 88656864
CID 88656864
3-(1,1-difluoroethyl)-2-fluoropyridine
CID 145371405
bis(2,3-dimethylpyridine);ethane
CID 159594018
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
1-methyl-8-(trifluoromethyl)isoquinoline
CID 125457545
3-[(3E)-2,3-dimethylhexa-3,5-dien-2-yl]-2-methylpyridine
CID 167164381
3-(1,1-difluoroethyl)-N-methylpyridin-2-amine
CID 89432261

Frequently Asked Questions

What is the IUPAC name of [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane?
The IUPAC name of [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane (CID 142110745) is [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane.
What is the SMILES notation for [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane?
The canonical SMILES for [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane is Cc1ncccc1C(F)(F)P.
What is the InChIKey of [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane?
The InChIKey is WMPXKPMTBTVRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2NP/c1-5-6(7(8,9)11)3-2-4-10-5/h2-4H,11H2,1H3.
What are the key properties of [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane?
[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane has a molecular weight of 175.12 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(2-methyl-3-pyridinyl)methyl]phosphane is sourced from PubChem (CID 142110745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).