3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine

C10H13IN2O — CID 130639694

IUPAC3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine
SMILESIc1cccnc1N[C@H]1CCCOC1
InChIInChI=1S/C10H13IN2O/c11-9-4-1-5-12-10(9)13-8-3-2-6-14-7-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)/t8-/m0/s1
InChIKeyJWBACUPEXXTLKO-QMMMGPOBSA-N
MW304.13 g/mol
LogP2.28
Rot. Bonds2

About 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine

3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine (PubChem CID 130639694) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine
PubChem CID130639694
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine
SMILESIc1cccnc1N[C@H]1CCCOC1
InChIInChI=1S/C10H13IN2O/c11-9-4-1-5-12-10(9)13-8-3-2-6-14-7-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)/t8-/m0/s1
InChIKeyJWBACUPEXXTLKO-QMMMGPOBSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
CID 130627526
ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
CID 55188965
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
N-(oxan-3-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106538565
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
CID 63363573
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
2-(methylamino)-N-(oxan-3-yl)pyridine-3-sulfonamide
CID 63361997
2-N-methyl-4-N-(oxan-3-yl)quinazoline-2,4-diamine
CID 80829880
3-fluoro-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103300080
2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
CID 115616389

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine?
The IUPAC name of 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine (CID 130639694) is 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine?
The canonical SMILES for 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine is Ic1cccnc1N[C@H]1CCCOC1.
What is the InChIKey of 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine?
The InChIKey is JWBACUPEXXTLKO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13IN2O/c11-9-4-1-5-12-10(9)13-8-3-2-6-14-7-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)/t8-/m0/s1.
What are the key properties of 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine?
3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine has a molecular weight of 304.13 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine is sourced from PubChem (CID 130639694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).