(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine

C10H13ClN2O — CID 105147557

IUPAC(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccncc1Cl)C1CCOC1
InChIInChI=1S/C10H13ClN2O/c11-9-5-13-3-1-8(9)10(12)7-2-4-14-6-7/h1,3,5,7,10H,2,4,6,12H2
InChIKeyCQCGIIRBAFFKDU-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.77
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine

(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine (PubChem CID 105147557) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
PubChem CID105147557
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
SMILESNC(c1ccncc1Cl)C1CCOC1
InChIInChI=1S/C10H13ClN2O/c11-9-5-13-3-1-8(9)10(12)7-2-4-14-6-7/h1,3,5,7,10H,2,4,6,12H2
InChIKeyCQCGIIRBAFFKDU-UHFFFAOYSA-N
XLogP1.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
CID 171218361
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
CID 107139487
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
oxolan-3-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 103127122
(5-chloro-3-pyridinyl)-(oxolan-3-yl)methanamine
CID 131115157
[3-(4-chlorophenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114716207
(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
CID 61270857
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine (CID 105147557) is (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine is NC(c1ccncc1Cl)C1CCOC1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine?
The InChIKey is CQCGIIRBAFFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-5-13-3-1-8(9)10(12)7-2-4-14-6-7/h1,3,5,7,10H,2,4,6,12H2.
What are the key properties of (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine?
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine has a molecular weight of 212.68 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 105147557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).