6-phenylmethoxypyridine-2,3-diamine

C12H13N3O — CID 67311804

IUPAC6-phenylmethoxypyridine-2,3-diamine
SMILESNc1ccc(OCc2ccccc2)nc1N
InChIInChI=1S/C12H13N3O/c13-10-6-7-11(15-12(10)14)16-8-9-4-2-1-3-5-9/h1-7H,8,13H2,(H2,14,15)
InChIKeyMOJLRMBKLOEZFR-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.83
Rot. Bonds3

About 6-phenylmethoxypyridine-2,3-diamine

6-phenylmethoxypyridine-2,3-diamine (PubChem CID 67311804) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-phenylmethoxypyridine-2,3-diamine.

Molecular Properties

Compound Name6-phenylmethoxypyridine-2,3-diamine
PubChem CID67311804
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-phenylmethoxypyridine-2,3-diamine
SMILESNc1ccc(OCc2ccccc2)nc1N
InChIInChI=1S/C12H13N3O/c13-10-6-7-11(15-12(10)14)16-8-9-4-2-1-3-5-9/h1-7H,8,13H2,(H2,14,15)
InChIKeyMOJLRMBKLOEZFR-UHFFFAOYSA-N
XLogP1.83
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-methoxyphenyl)methoxy]pyridine-2,3-diamine
CID 59437374
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 141304726
2-fluoro-6-phenylmethoxypyridin-3-ol
CID 125115954
2-chloro-7-phenylmethoxy-1,8-naphthyridine
CID 21073265
(6-phenylmethoxypyridazin-3-yl)methanamine
CID 62291717
3-phenyl-5-phenylmethoxyimidazo[4,5-b]pyridine
CID 67312864
4-amino-6-phenylmethoxypyridin-3-ol;hydrochloride
CID 86731412
2-(chloromethyl)-6-phenylmethoxypyridine
CID 21193174
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
CID 168874664

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxypyridine-2,3-diamine?
The IUPAC name of 6-phenylmethoxypyridine-2,3-diamine (CID 67311804) is 6-phenylmethoxypyridine-2,3-diamine.
What is the SMILES notation for 6-phenylmethoxypyridine-2,3-diamine?
The canonical SMILES for 6-phenylmethoxypyridine-2,3-diamine is Nc1ccc(OCc2ccccc2)nc1N.
What is the InChIKey of 6-phenylmethoxypyridine-2,3-diamine?
The InChIKey is MOJLRMBKLOEZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-6-7-11(15-12(10)14)16-8-9-4-2-1-3-5-9/h1-7H,8,13H2,(H2,14,15).
What are the key properties of 6-phenylmethoxypyridine-2,3-diamine?
6-phenylmethoxypyridine-2,3-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxypyridine-2,3-diamine is sourced from PubChem (CID 67311804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).