(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone

C12H11N2OP — CID 142091739

IUPAC(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
SMILESNc1cc(C(=O)c2ccccn2)ccc1P
InChIInChI=1S/C12H11N2OP/c13-9-7-8(4-5-11(9)16)12(15)10-3-1-2-6-14-10/h1-7H,13,16H2
InChIKeyVRFCITPKYSYKAY-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.40
Rot. Bonds2

About (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone

(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone (PubChem CID 142091739) has the molecular formula C12H11N2OP and a molecular weight of 230.21 g/mol. Its IUPAC name is (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
PubChem CID142091739
Molecular FormulaC12H11N2OP
Molecular Weight230.21 g/mol
Exact Mass230.06
IUPAC Name(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
SMILESNc1cc(C(=O)c2ccccn2)ccc1P
InChIInChI=1S/C12H11N2OP/c13-9-7-8(4-5-11(9)16)12(15)10-3-1-2-6-14-10/h1-7H,13,16H2
InChIKeyVRFCITPKYSYKAY-UHFFFAOYSA-N
XLogP1.40
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
CID 3015591
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118853780
(3-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 118819424
(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
CID 59744024
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
CID 165460462
(2-amino-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118847428

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone?
The IUPAC name of (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone (CID 142091739) is (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone is Nc1cc(C(=O)c2ccccn2)ccc1P.
What is the InChIKey of (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone?
The InChIKey is VRFCITPKYSYKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N2OP/c13-9-7-8(4-5-11(9)16)12(15)10-3-1-2-6-14-10/h1-7H,13,16H2.
What are the key properties of (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone?
(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone has a molecular weight of 230.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 142091739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).